2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole

C15H10ClF3N2 — CID 79046056

IUPAC2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
SMILESCc1cc(F)cc(-n2c(CCl)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C15H10ClF3N2/c1-8-4-9(17)6-10(5-8)21-13(7-16)20-12-3-2-11(18)14(19)15(12)21/h2-6H,7H2,1H3
InChIKeyRCWQJMNBJGGNJO-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.49
Rot. Bonds2

About 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole (PubChem CID 79046056) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
PubChem CID79046056
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
SMILESCc1cc(F)cc(-n2c(CCl)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C15H10ClF3N2/c1-8-4-9(17)6-10(5-8)21-13(7-16)20-12-3-2-11(18)14(19)15(12)21/h2-6H,7H2,1H3
InChIKeyRCWQJMNBJGGNJO-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole (CID 79046056) is 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole is Cc1cc(F)cc(-n2c(CCl)nc3ccc(F)c(F)c32)c1.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole?
The InChIKey is RCWQJMNBJGGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-8-4-9(17)6-10(5-8)21-13(7-16)20-12-3-2-11(18)14(19)15(12)21/h2-6H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole is sourced from PubChem (CID 79046056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).