4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole

C15H11Cl3N2 — CID 104837537

IUPAC4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl3N2/c1-9(16)15-19-14-11(18)6-4-8-13(14)20(15)12-7-3-2-5-10(12)17/h2-9H,1H3
InChIKeyROQNGXLMBXMVMF-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.63
Rot. Bonds2

About 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole

4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole (PubChem CID 104837537) has the molecular formula C15H11Cl3N2 and a molecular weight of 325.63 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
PubChem CID104837537
Molecular FormulaC15H11Cl3N2
Molecular Weight325.63 g/mol
Exact Mass324.00
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl3N2/c1-9(16)15-19-14-11(18)6-4-8-13(14)20(15)12-7-3-2-5-10(12)17/h2-9H,1H3
InChIKeyROQNGXLMBXMVMF-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)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 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole (CID 104837537) is 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1-c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole?
The InChIKey is ROQNGXLMBXMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2/c1-9(16)15-19-14-11(18)6-4-8-13(14)20(15)12-7-3-2-5-10(12)17/h2-9H,1H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole has a molecular weight of 325.63 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole is sourced from PubChem (CID 104837537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).