N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide

C13H9ClN4O — CID 78961453

IUPACN-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H9ClN4O/c14-12-4-2-9(6-15-12)18-13(19)8-1-3-10-11(5-8)17-7-16-10/h1-7H,(H,16,17)(H,18,19)
InChIKeyUDNHDQAKLJSXPS-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.86
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide

N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide (PubChem CID 78961453) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
PubChem CID78961453
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H9ClN4O/c14-12-4-2-9(6-15-12)18-13(19)8-1-3-10-11(5-8)17-7-16-10/h1-7H,(H,16,17)(H,18,19)
InChIKeyUDNHDQAKLJSXPS-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67113871
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
CID 110466681

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide (CID 78961453) is N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)nc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is UDNHDQAKLJSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-12-4-2-9(6-15-12)18-13(19)8-1-3-10-11(5-8)17-7-16-10/h1-7H,(H,16,17)(H,18,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 78961453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).