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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (676)
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1 – 15 of 906 results
1

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
2

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
3

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

Imidazole-4-acetic acid monohydrochloride, 97%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
6

2-Chloro-5-nitroimidazole, 95%

CAS: 57531-37-0 Molecular Formula: C3H2ClN3O2 Molecular Weight (g/mol): 147.518 MDL Number: MFCD08705680 InChI Key: BOJZBRDIZUHTCE-UHFFFAOYSA-N Synonym: 2-chloro-4-nitroimidazole,2-chloro-4-nitro-1h-imidazole,2-chloro-5-nitroimidazole,1h-imidazole, 2-chloro-4-nitro,2-chloro-4-nitro-3h-imidazole,nitrochloroimidazole,acmc-1ayku,2-chloro-4-nitrroimidazole,ksc490o8f PubChem CID: 42409 IUPAC Name: 2-chloro-5-nitro-1H-imidazole SMILES: C1=C(NC(=N1)Cl)[N+](=O)[O-]

PubChem CID 42409
CAS 57531-37-0
Molecular Weight (g/mol) 147.518
MDL Number MFCD08705680
SMILES C1=C(NC(=N1)Cl)[N+](=O)[O-]
Synonym 2-chloro-4-nitroimidazole,2-chloro-4-nitro-1h-imidazole,2-chloro-5-nitroimidazole,1h-imidazole, 2-chloro-4-nitro,2-chloro-4-nitro-3h-imidazole,nitrochloroimidazole,acmc-1ayku,2-chloro-4-nitrroimidazole,ksc490o8f
IUPAC Name 2-chloro-5-nitro-1H-imidazole
InChI Key BOJZBRDIZUHTCE-UHFFFAOYSA-N
Molecular Formula C3H2ClN3O2
7

1-Hexadecyl-3-methylimidazolium chloride monohydrate, 98%

CAS: 404001-62-3 Molecular Formula: C20H41ClN2O Molecular Weight (g/mol): 361.01 MDL Number: MFCD07773044 InChI Key: YCRGEJFZTMXLMF-UHFFFAOYSA-M Synonym: 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate,1-hexadecyl-3-methylimidazolium chloride monohydrate,1-hexadecyl-3-methyl-1h-imidazolium chloride hydrate PubChem CID: 60160661 IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1

PubChem CID 60160661
CAS 404001-62-3
Molecular Weight (g/mol) 361.01
MDL Number MFCD07773044
SMILES O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1
Synonym 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate,1-hexadecyl-3-methylimidazolium chloride monohydrate,1-hexadecyl-3-methyl-1h-imidazolium chloride hydrate
IUPAC Name 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate
InChI Key YCRGEJFZTMXLMF-UHFFFAOYSA-M
Molecular Formula C20H41ClN2O
8

Flumazenil, 98%

CAS: 78755-81-4 Molecular Formula: C15H14FN3O3 Molecular Weight (g/mol): 303.293 MDL Number: MFCD00242764 InChI Key: OFBIFZUFASYYRE-UHFFFAOYSA-N Synonym: flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish PubChem CID: 3373 ChEBI: CHEBI:5103 IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

PubChem CID 3373
CAS 78755-81-4
Molecular Weight (g/mol) 303.293
ChEBI CHEBI:5103
MDL Number MFCD00242764
SMILES CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
Synonym flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish
IUPAC Name ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
InChI Key OFBIFZUFASYYRE-UHFFFAOYSA-N
Molecular Formula C15H14FN3O3
9

2,9-Diacetylguanine, 96%, Thermo Scientific™

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

PubChem CID 76461
CAS 3056-33-5
Molecular Weight (g/mol) 235.20
MDL Number MFCD00142116
SMILES CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
IUPAC Name N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula C9H9N5O3
10

Ternidazole, 95%, Thermo Scientific Chemicals

CAS: 1077-93-6 Molecular Formula: C7H11N3O3 Molecular Weight (g/mol): 185.18 InChI Key: DUOHVNSMLSPTMI-UHFFFAOYSA-N Synonym: ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin PubChem CID: 68944 IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol SMILES: CC1=NC=C(N1CCCO)[N+](=O)[O-]

PubChem CID 68944
CAS 1077-93-6
Molecular Weight (g/mol) 185.18
SMILES CC1=NC=C(N1CCCO)[N+](=O)[O-]
Synonym ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin
IUPAC Name 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
InChI Key DUOHVNSMLSPTMI-UHFFFAOYSA-N
Molecular Formula C7H11N3O3
11

Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
12

1-Allylimidazole, 97%

CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1

PubChem CID 35794
CAS 31410-01-2
Molecular Weight (g/mol) 108.14
MDL Number MFCD00037894
SMILES C=CCN1C=CN=C1
Synonym 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole #
IUPAC Name 1-prop-2-enylimidazole
InChI Key XLXCHZCQTCBUOX-UHFFFAOYSA-N
Molecular Formula C6H8N2
13

N(2),9-Diacetylguanine, 99%

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N Synonym: n2,9-diacetylguanine,n,9-diacetylguanine,n 2 ,9-diacetylguanine,2,9-diacetylguanine,2,9-diacetateguanine,n-9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl acetamide,unii-vuw2b9yr95,2,9-diacetyl guanine,vuw2b9yr95,n-9-acetyl-6-oxo-3h-purin-2-yl acetamide PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

PubChem CID 76461
CAS 3056-33-5
Molecular Weight (g/mol) 235.20
MDL Number MFCD00142116
SMILES CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
Synonym n2,9-diacetylguanine,n,9-diacetylguanine,n 2 ,9-diacetylguanine,2,9-diacetylguanine,2,9-diacetateguanine,n-9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl acetamide,unii-vuw2b9yr95,2,9-diacetyl guanine,vuw2b9yr95,n-9-acetyl-6-oxo-3h-purin-2-yl acetamide
IUPAC Name N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula C9H9N5O3
14

Ornidazole, 99%

CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

PubChem CID 28061
CAS 16773-42-5
Molecular Weight (g/mol) 219.625
ChEBI CHEBI:75176
MDL Number MFCD00057960
SMILES CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Synonym ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole
IUPAC Name 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI Key IPWKIXLWTCNBKN-UHFFFAOYSA-N
Molecular Formula C7H10ClN3O3
15

2-Amino-5-n-propylsulfonylbenzimidazole, 98+%

CAS: 80983-34-2 Molecular Formula: C10H13N3O2S Molecular Weight (g/mol): 239.29 MDL Number: MFCD01075656 InChI Key: WTPBIYSMFKUQKY-UHFFFAOYSA-N Synonym: albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine PubChem CID: 88125 ChEBI: CHEBI:80621 IUPAC Name: 6-propylsulfonyl-1H-benzimidazol-2-amine SMILES: CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1

PubChem CID 88125
CAS 80983-34-2
Molecular Weight (g/mol) 239.29
ChEBI CHEBI:80621
MDL Number MFCD01075656
SMILES CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1
Synonym albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine
IUPAC Name 6-propylsulfonyl-1H-benzimidazol-2-amine
InChI Key WTPBIYSMFKUQKY-UHFFFAOYSA-N
Molecular Formula C10H13N3O2S