4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole

C15H10Cl2F2N2 — CID 104837746

IUPAC4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3c(Cl)cccc32)c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-15-9(17)3-1-6-12(15)21(13)11-5-2-4-10(18)14(11)19/h1-6H,7-8H2
InChIKeyLYHZVVVQENZHSN-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.74
Rot. Bonds3

About 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (PubChem CID 104837746) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
PubChem CID104837746
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESFc1cccc(-n2c(CCCl)nc3c(Cl)cccc32)c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-15-9(17)3-1-6-12(15)21(13)11-5-2-4-10(18)14(11)19/h1-6H,7-8H2
InChIKeyLYHZVVVQENZHSN-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)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-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
4-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 104837444
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-4-fluorobenzimidazole
CID 63544886
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719292
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
CID 104837709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (CID 104837746) is 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole is Fc1cccc(-n2c(CCCl)nc3c(Cl)cccc32)c1F.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The InChIKey is LYHZVVVQENZHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-15-9(17)3-1-6-12(15)21(13)11-5-2-4-10(18)14(11)19/h1-6H,7-8H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole has a molecular weight of 327.16 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole is sourced from PubChem (CID 104837746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).