2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole

C14H16ClFN2 — CID 113485698

IUPAC2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
SMILESCC1(n2c(CCCl)nc3cc(F)ccc32)CCC1
InChIInChI=1S/C14H16ClFN2/c1-14(6-2-7-14)18-12-4-3-10(16)9-11(12)17-13(18)5-8-15/h3-4,9H,2,5-8H2,1H3
InChIKeyFJSYAJJHCFASBF-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole

2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole (PubChem CID 113485698) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
PubChem CID113485698
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
SMILESCC1(n2c(CCCl)nc3cc(F)ccc32)CCC1
InChIInChI=1S/C14H16ClFN2/c1-14(6-2-7-14)18-12-4-3-10(16)9-11(12)17-13(18)5-8-15/h3-4,9H,2,5-8H2,1H3
InChIKeyFJSYAJJHCFASBF-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)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

2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole
CID 113488945
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methylcyclohexyl)benzimidazole
CID 66086743
2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 63831945
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709
2-(chloromethyl)-6-fluoro-1-(4-methyloxan-4-yl)benzimidazole
CID 113491217
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-(chloromethyl)-5-fluoro-6-methyl-1-(1-methylcyclopentyl)benzimidazole
CID 103593802
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
2-(2-chloroethyl)-5-fluoro-1-[(2-methylcyclohexyl)methyl]benzimidazole
CID 63546675

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole (CID 113485698) is 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole is CC1(n2c(CCCl)nc3cc(F)ccc32)CCC1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole?
The InChIKey is FJSYAJJHCFASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-14(6-2-7-14)18-12-4-3-10(16)9-11(12)17-13(18)5-8-15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole has a molecular weight of 266.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole is sourced from PubChem (CID 113485698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).