6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole

C16H13Cl2FN2 — CID 115470935

IUPAC6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3ccc(Cl)cc32)cc1F
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-12(9-13(10)19)21-15-8-11(18)3-5-14(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyQFJILKRMCUQGNW-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole

6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole (PubChem CID 115470935) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
PubChem CID115470935
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3ccc(Cl)cc32)cc1F
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-12(9-13(10)19)21-15-8-11(18)3-5-14(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyQFJILKRMCUQGNW-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-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

Related Compounds

2-(2-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 63545555
4-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 115470947
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
CID 63546455
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(2-bromo-3-methylphenyl)-6-chloro-2-(2-chloroethyl)benzimidazole
CID 115471778
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
5-(2-chloroethyl)-6-(3-fluoro-4-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79273444
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
6-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 115471713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole (CID 115470935) is 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole is Cc1ccc(-n2c(CCCl)nc3ccc(Cl)cc32)cc1F.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole?
The InChIKey is QFJILKRMCUQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10-2-4-12(9-13(10)19)21-15-8-11(18)3-5-14(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole?
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole has a molecular weight of 323.20 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole is sourced from PubChem (CID 115470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).