6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole

C15H18Cl2N2 — CID 112741073

IUPAC6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
SMILESCc1c(Cl)ccc2nc(CCCl)n(CC3CCC3)c12
InChIInChI=1S/C15H18Cl2N2/c1-10-12(17)5-6-13-15(10)19(9-11-3-2-4-11)14(18-13)7-8-16/h5-6,11H,2-4,7-9H2,1H3
InChIKeyFIESOINZYJKOQG-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.58
Rot. Bonds4

About 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole

6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole (PubChem CID 112741073) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
PubChem CID112741073
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
SMILESCc1c(Cl)ccc2nc(CCCl)n(CC3CCC3)c12
InChIInChI=1S/C15H18Cl2N2/c1-10-12(17)5-6-13-15(10)19(9-11-3-2-4-11)14(18-13)7-8-16/h5-6,11H,2-4,7-9H2,1H3
InChIKeyFIESOINZYJKOQG-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole 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-(cyclobutylmethyl)-6,7-difluorobenzimidazole
CID 55086323
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole
CID 112741117
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
CID 115553467
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
2-(2-chloroethyl)-7-methyl-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 115553277
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole (CID 112741073) is 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole is Cc1c(Cl)ccc2nc(CCCl)n(CC3CCC3)c12.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The InChIKey is FIESOINZYJKOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-10-12(17)5-6-13-15(10)19(9-11-3-2-4-11)14(18-13)7-8-16/h5-6,11H,2-4,7-9H2,1H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole has a molecular weight of 297.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole is sourced from PubChem (CID 112741073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).