4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole

C10H10Cl2N2 — CID 104837313

IUPAC4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1C
InChIInChI=1S/C10H10Cl2N2/c1-6(11)10-13-9-7(12)4-3-5-8(9)14(10)2/h3-6H,1-2H3
InChIKeyVQJGVHCBTLOYDK-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.53
Rot. Bonds1

About 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole

4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole (PubChem CID 104837313) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
PubChem CID104837313
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1C
InChIInChI=1S/C10H10Cl2N2/c1-6(11)10-13-9-7(12)4-3-5-8(9)14(10)2/h3-6H,1-2H3
InChIKeyVQJGVHCBTLOYDK-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.53
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-methylbenzimidazole 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-methylbenzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole (CID 104837313) is 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1C.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
The InChIKey is VQJGVHCBTLOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-6(11)10-13-9-7(12)4-3-5-8(9)14(10)2/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole has a molecular weight of 229.11 g/mol, XLogP of 3.53, 1 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-methylbenzimidazole is sourced from PubChem (CID 104837313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).