2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide

C14H11ClN4O — CID 100787093

IUPAC2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C14H11ClN4O/c15-14-18-11-4-3-10(6-12(11)19-14)13(20)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyCZBXMKXTSLKPKR-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide

2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 100787093) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID100787093
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C14H11ClN4O/c15-14-18-11-4-3-10(6-12(11)19-14)13(20)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyCZBXMKXTSLKPKR-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 100787093) is 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1cccnc1)c1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CZBXMKXTSLKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-14-18-11-4-3-10(6-12(11)19-14)13(20)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).