2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole

C16H20ClFN2 — CID 60788862

IUPAC2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole
SMILESCC1CCCCC1n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C16H20ClFN2/c1-11-5-2-3-7-13(11)20-14-8-4-6-12(18)16(14)19-15(20)9-10-17/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyDLMJRCHXKXFJRW-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.71
Rot. Bonds3

About 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole

2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole (PubChem CID 60788862) has the molecular formula C16H20ClFN2 and a molecular weight of 294.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole
PubChem CID60788862
Molecular FormulaC16H20ClFN2
Molecular Weight294.80 g/mol
Exact Mass294.13
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole
SMILESCC1CCCCC1n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C16H20ClFN2/c1-11-5-2-3-7-13(11)20-14-8-4-6-12(18)16(14)19-15(20)9-10-17/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyDLMJRCHXKXFJRW-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)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-(2,4-dimethylcyclohexyl)-4-fluorobenzimidazole
CID 63999171
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
3-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]thiane 1,1-dioxide
CID 63924168
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzimidazole
CID 60790466
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
2-(2-chloroethyl)-4-fluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 63713674
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
CID 60785108

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole (CID 60788862) is 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole is CC1CCCCC1n1c(CCCl)nc2c(F)cccc21.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole?
The InChIKey is DLMJRCHXKXFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2/c1-11-5-2-3-7-13(11)20-14-8-4-6-12(18)16(14)19-15(20)9-10-17/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole?
2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole has a molecular weight of 294.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole is sourced from PubChem (CID 60788862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).