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

C14H17ClN2 — CID 43667459

IUPAC2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1CC1CCC1
InChIInChI=1S/C14H17ClN2/c1-10(15)14-16-12-7-2-3-8-13(12)17(14)9-11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyWIKXHBIUQWQEJM-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.14
Rot. Bonds3

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

2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole (PubChem CID 43667459) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
PubChem CID43667459
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1CC1CCC1
InChIInChI=1S/C14H17ClN2/c1-10(15)14-16-12-7-2-3-8-13(12)17(14)9-11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyWIKXHBIUQWQEJM-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

Related Compounds

6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
CID 60790255
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 43666537
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-(1-chloroethyl)-1-(cyclopentylmethyl)-5-fluoro-6-methoxybenzimidazole
CID 63599299
2-(1-chloroethyl)-1-(2-cyclobutylethyl)-5-methylbenzimidazole
CID 113479126
N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 43837396
4-[2-(1-chloroethyl)benzimidazol-1-yl]-N-cyclopropylbutanamide
CID 79377840
2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494128

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole (CID 43667459) is 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole is CC(Cl)c1nc2ccccc2n1CC1CCC1.
What is the InChIKey of 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
The InChIKey is WIKXHBIUQWQEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10(15)14-16-12-7-2-3-8-13(12)17(14)9-11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole?
2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole has a molecular weight of 248.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole is sourced from PubChem (CID 43667459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).