2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole

C15H12ClF2N3 — CID 62533559

IUPAC2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole
SMILESCC(c1cccnc1)n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H12ClF2N3/c1-9(10-3-2-6-19-8-10)21-13(7-16)20-12-5-4-11(17)14(18)15(12)21/h2-6,8-9H,7H2,1H3
InChIKeyRAJIRNCXWBXJOH-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.06
Rot. Bonds3

About 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole (PubChem CID 62533559) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole
PubChem CID62533559
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole
SMILESCC(c1cccnc1)n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H12ClF2N3/c1-9(10-3-2-6-19-8-10)21-13(7-16)20-12-5-4-11(17)14(18)15(12)21/h2-6,8-9H,7H2,1H3
InChIKeyRAJIRNCXWBXJOH-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
2-(chloromethyl)-6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazole
CID 62533238
2-(2-chloroethyl)-6,7-difluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843693
2-(2-chloroethyl)-6,7-difluoro-1-(3-methylbutan-2-yl)benzimidazole
CID 62532235
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)benzimidazole-4-carbonitrile
CID 104719380
methyl 2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-3-methylbutanoate
CID 62533926
2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62533911
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)-6,7-difluorobenzimidazole
CID 63836263
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
CID 63004461
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole (CID 62533559) is 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole is CC(c1cccnc1)n1c(CCl)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole?
The InChIKey is RAJIRNCXWBXJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c1-9(10-3-2-6-19-8-10)21-13(7-16)20-12-5-4-11(17)14(18)15(12)21/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole has a molecular weight of 307.73 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole is sourced from PubChem (CID 62533559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).