5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide

C17H11ClN4OS — CID 166322657

IUPAC5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H11ClN4OS/c18-15-4-3-14(24-15)17(23)20-11-1-2-12-13(9-11)22-16(21-12)10-5-7-19-8-6-10/h1-9H,(H,20,23)(H,21,22)
InChIKeyQBXSLAOJBUHZMP-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.59
Rot. Bonds3

About 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide

5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 166322657) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID166322657
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC Name5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H11ClN4OS/c18-15-4-3-14(24-15)17(23)20-11-1-2-12-13(9-11)22-16(21-12)10-5-7-19-8-6-10/h1-9H,(H,20,23)(H,21,22)
InChIKeyQBXSLAOJBUHZMP-UHFFFAOYSA-N
XLogP4.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
5-chloro-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]thiophene-3-carboxamide
CID 155963164
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 20695064
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide (CID 166322657) is 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is QBXSLAOJBUHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-15-4-3-14(24-15)17(23)20-11-1-2-12-13(9-11)22-16(21-12)10-5-7-19-8-6-10/h1-9H,(H,20,23)(H,21,22).
What are the key properties of 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide?
5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 166322657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).