1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole

C14H12ClN3 — CID 62470224

IUPAC1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccnc1Cl
InChIInChI=1S/C14H12ClN3/c1-10-17-12-6-2-3-7-13(12)18(10)9-11-5-4-8-16-14(11)15/h2-8H,9H2,1H3
InChIKeyCLWDXDZWWAPSLH-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.44
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole

1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole (PubChem CID 62470224) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
PubChem CID62470224
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccnc1Cl
InChIInChI=1S/C14H12ClN3/c1-10-17-12-6-2-3-7-13(12)18(10)9-11-5-4-8-16-14(11)15/h2-8H,9H2,1H3
InChIKeyCLWDXDZWWAPSLH-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(5-chloro-2-nitrophenyl)methyl]-2-methylbenzimidazole
CID 79751951
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-[(2-chloro-3-pyridinyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 62470411
3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052
2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 107119584

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole (CID 62470224) is 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1cccnc1Cl.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole?
The InChIKey is CLWDXDZWWAPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-17-12-6-2-3-7-13(12)18(10)9-11-5-4-8-16-14(11)15/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole?
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole has a molecular weight of 257.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 62470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).