6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole

C14H16Cl2N2 — CID 115471062

IUPAC6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CCC1
InChIInChI=1S/C14H16Cl2N2/c1-9(15)14-17-12-6-5-11(16)7-13(12)18(14)8-10-3-2-4-10/h5-7,9-10H,2-4,8H2,1H3
InChIKeyUCKBXJMJYOTWFN-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.79
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole (PubChem CID 115471062) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
PubChem CID115471062
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CCC1
InChIInChI=1S/C14H16Cl2N2/c1-9(15)14-17-12-6-5-11(16)7-13(12)18(14)8-10-3-2-4-10/h5-7,9-10H,2-4,8H2,1H3
InChIKeyUCKBXJMJYOTWFN-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)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 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole (CID 115471062) is 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1CC1CCC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The InChIKey is UCKBXJMJYOTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9(15)14-17-12-6-5-11(16)7-13(12)18(14)8-10-3-2-4-10/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole is sourced from PubChem (CID 115471062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).