1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide

C17H15N5OS — CID 51101287

IUPAC1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)ccc2n1C
InChIInChI=1S/C17H15N5OS/c1-10-19-13-8-11(5-6-15(13)22(10)2)16(23)21-17-20-14(9-24-17)12-4-3-7-18-12/h3-9,18H,1-2H3,(H,20,21,23)
InChIKeyBGBGUZCKIOVPAK-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.59
Rot. Bonds3

About 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide

1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide (PubChem CID 51101287) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
PubChem CID51101287
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)ccc2n1C
InChIInChI=1S/C17H15N5OS/c1-10-19-13-8-11(5-6-15(13)22(10)2)16(23)21-17-20-14(9-24-17)12-4-3-7-18-12/h3-9,18H,1-2H3,(H,20,21,23)
InChIKeyBGBGUZCKIOVPAK-UHFFFAOYSA-N
XLogP3.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 36537742
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
CID 167320182
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 36537470
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092
3,5-dimethyl-4-oxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 36537520
3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 167977469
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide (CID 51101287) is 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide?
The InChIKey is BGBGUZCKIOVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-19-13-8-11(5-6-15(13)22(10)2)16(23)21-17-20-14(9-24-17)12-4-3-7-18-12/h3-9,18H,1-2H3,(H,20,21,23).
What are the key properties of 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide?
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 51101287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).