2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide

C15H13ClN4O — CID 53014032

IUPAC2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnc2cc(CNC(=O)c3cccnc3Cl)ccc21
InChIInChI=1S/C15H13ClN4O/c1-20-9-19-12-7-10(4-5-13(12)20)8-18-15(21)11-3-2-6-17-14(11)16/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyHKLINPJSXGIWQE-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide

2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 53014032) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID53014032
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnc2cc(CNC(=O)c3cccnc3Cl)ccc21
InChIInChI=1S/C15H13ClN4O/c1-20-9-19-12-7-10(4-5-13(12)20)8-18-15(21)11-3-2-6-17-14(11)16/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyHKLINPJSXGIWQE-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 167748960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide (CID 53014032) is 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide is Cn1cnc2cc(CNC(=O)c3cccnc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HKLINPJSXGIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-9-19-12-7-10(4-5-13(12)20)8-18-15(21)11-3-2-6-17-14(11)16/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).