4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole

C16H13Cl3N2 — CID 104838055

IUPAC4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3
InChIKeyGTYLTUUDBOLEDZ-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.69
Rot. Bonds3

About 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole

4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole (PubChem CID 104838055) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole
PubChem CID104838055
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3
InChIKeyGTYLTUUDBOLEDZ-UHFFFAOYSA-N
XLogP5.69
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 ≤ 55.69
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-[(3-chlorophenyl)methyl]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

4-chloro-2-(1-chloroethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 104837733
4-chloro-2-(1-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 104838052
4-chloro-2-(1-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005420
4-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
4-chloro-2-(1-chloroethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 104838124
4-[[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837876
1-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 104837988
2-(1-chloroethyl)-4-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60903372
4-chloro-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 104838544
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-2-(1-chloroethyl)-1-(2-pyrrolidin-1-ylpropyl)benzimidazole
CID 104838530

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole (CID 104838055) is 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole?
The InChIKey is GTYLTUUDBOLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole?
4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole has a molecular weight of 339.65 g/mol, XLogP of 5.69, 3 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-[(3-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 104838055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).