2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole

C15H13ClFN3 — CID 62378078

IUPAC2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H13ClFN3/c1-10(12-4-2-3-7-18-12)20-14-8-11(17)5-6-13(14)19-15(20)9-16/h2-8,10H,9H2,1H3
InChIKeyIZFVELSUFMBFQY-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.92
Rot. Bonds3

About 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole

2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole (PubChem CID 62378078) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
PubChem CID62378078
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H13ClFN3/c1-10(12-4-2-3-7-18-12)20-14-8-11(17)5-6-13(14)19-15(20)9-16/h2-8,10H,9H2,1H3
InChIKeyIZFVELSUFMBFQY-UHFFFAOYSA-N
XLogP3.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.92
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-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 62377043
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319
2-(chloromethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzimidazole
CID 62376873
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 43662111
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-(chloromethyl)-6-fluoro-1-(2-phenylpropyl)benzimidazole
CID 104591930
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
1-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-fluorobenzimidazole
CID 63546662

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole (CID 62378078) is 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole is CC(c1ccccn1)n1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole?
The InChIKey is IZFVELSUFMBFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-10(12-4-2-3-7-18-12)20-14-8-11(17)5-6-13(14)19-15(20)9-16/h2-8,10H,9H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole?
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole has a molecular weight of 289.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 62378078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).