5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

C16H13Cl2FN2 — CID 43666896

IUPAC5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2FN2/c1-10-8-12(19)3-5-14(10)21-15-4-2-11(18)9-13(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyCAXJEFJTTHBAFF-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.91
Rot. Bonds3

About 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (PubChem CID 43666896) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
PubChem CID43666896
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2FN2/c1-10-8-12(19)3-5-14(10)21-15-4-2-11(18)9-13(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyCAXJEFJTTHBAFF-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 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-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

5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (CID 43666896) is 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is Cc1cc(F)ccc1-n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is CAXJEFJTTHBAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10-8-12(19)3-5-14(10)21-15-4-2-11(18)9-13(15)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-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 5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 43666896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).