2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole

C17H23ClN2 — CID 43666537

IUPAC2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1C1CCCC(C)C1C
InChIInChI=1S/C17H23ClN2/c1-11-7-6-10-15(12(11)2)20-16-9-5-4-8-14(16)19-17(20)13(3)18/h4-5,8-9,11-13,15H,6-7,10H2,1-3H3
InChIKeyDDLPUKVTYDPMAJ-UHFFFAOYSA-N
MW290.84 g/mol
LogP5.33
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole

2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole (PubChem CID 43666537) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
PubChem CID43666537
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1C1CCCC(C)C1C
InChIInChI=1S/C17H23ClN2/c1-11-7-6-10-15(12(11)2)20-16-9-5-4-8-14(16)19-17(20)13(3)18/h4-5,8-9,11-13,15H,6-7,10H2,1-3H3
InChIKeyDDLPUKVTYDPMAJ-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.84
LogP ≤ 55.33
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-(2,3-dimethylcyclohexyl)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-(1-chloroethyl)-5-iodo-1-(2-methylcycloheptyl)benzimidazole
CID 66082667
2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 43667459
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)benzimidazole
CID 114548613
7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
CID 43666575
3-[2-(1-chloroethyl)benzimidazol-1-yl]thiolane 1,1-dioxide
CID 43666253
2-(1-chloroethyl)-1-(1-ethylpiperidin-3-yl)benzimidazole
CID 61478078
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 43196258
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 55071382
2-(1-chloroethyl)-5-methyl-3-(2-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 81136444
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole (CID 43666537) is 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole is CC(Cl)c1nc2ccccc2n1C1CCCC(C)C1C.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The InChIKey is DDLPUKVTYDPMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-11-7-6-10-15(12(11)2)20-16-9-5-4-8-14(16)19-17(20)13(3)18/h4-5,8-9,11-13,15H,6-7,10H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole has a molecular weight of 290.84 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole is sourced from PubChem (CID 43666537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).