2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole

C14H17ClN2 — CID 115552971

IUPAC2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(CC3CCC3)c12
InChIInChI=1S/C14H17ClN2/c1-10-4-2-7-12-14(10)17(13(8-15)16-12)9-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3
InChIKeyAWHFJGHAYPGIIV-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.88
Rot. Bonds3

About 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole

2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole (PubChem CID 115552971) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
PubChem CID115552971
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(CC3CCC3)c12
InChIInChI=1S/C14H17ClN2/c1-10-4-2-7-12-14(10)17(13(8-15)16-12)9-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3
InChIKeyAWHFJGHAYPGIIV-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-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-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(2-chloroethyl)-7-methyl-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 115553277
2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
CID 115553467
2-(chloromethyl)-7-methyl-1-[2-(oxan-2-yl)ethyl]benzimidazole
CID 106004974
2-(chloromethyl)-1-(1,4-dioxan-2-ylmethyl)-7-methylbenzimidazole
CID 115553084
6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 112741073
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113334051
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
CID 115553702
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
5-[[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 115553574

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole (CID 115552971) is 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole is Cc1cccc2nc(CCl)n(CC3CCC3)c12.
What is the InChIKey of 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
The InChIKey is AWHFJGHAYPGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10-4-2-7-12-14(10)17(13(8-15)16-12)9-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole?
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole has a molecular weight of 248.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).