7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole

C16H13Cl3N2 — CID 43667263

IUPAC7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2/c1-10-5-6-14(12(19)9-10)21-15(7-8-17)20-13-4-2-3-11(18)16(13)21/h2-6,9H,7-8H2,1H3
InChIKeyDBABLGZHEOEQBV-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.42
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole (PubChem CID 43667263) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
PubChem CID43667263
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2/c1-10-5-6-14(12(19)9-10)21-15(7-8-17)20-13-4-2-3-11(18)16(13)21/h2-6,9H,7-8H2,1H3
InChIKeyDBABLGZHEOEQBV-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-2-(2-chloroethyl)-1-(2-chloro-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-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole (CID 43667263) is 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole is Cc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)c(Cl)c1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole?
The InChIKey is DBABLGZHEOEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-10-5-6-14(12(19)9-10)21-15(7-8-17)20-13-4-2-3-11(18)16(13)21/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole has a molecular weight of 339.65 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole is sourced from PubChem (CID 43667263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).