2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole

C15H19ClN2 — CID 113463978

IUPAC2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CC1C
InChIInChI=1S/C15H19ClN2/c1-10-3-4-14-13(7-10)17-15(5-6-16)18(14)9-12-8-11(12)2/h3-4,7,11-12H,5-6,8-9H2,1-2H3
InChIKeyFYTOCFBCEZKOPF-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole

2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole (PubChem CID 113463978) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
PubChem CID113463978
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CC1C
InChIInChI=1S/C15H19ClN2/c1-10-3-4-14-13(7-10)17-15(5-6-16)18(14)9-12-8-11(12)2/h3-4,7,11-12H,5-6,8-9H2,1-2H3
InChIKeyFYTOCFBCEZKOPF-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.78
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-methyl-1-[(2-methylcyclopropyl)methyl]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-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
5-chloro-2-(2-chloroethyl)-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419697
2-(2-chloroethyl)-5-fluoro-1-[(2-methylcyclohexyl)methyl]benzimidazole
CID 63546675
2-(2-chloroethyl)-5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 62847056
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(chloromethyl)-5-methyl-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585735
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
2-(2-chloroethyl)-5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008671
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-5-methylbenzimidazole
CID 114248558

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole (CID 113463978) is 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole is Cc1ccc2c(c1)nc(CCCl)n2CC1CC1C.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole?
The InChIKey is FYTOCFBCEZKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-3-4-14-13(7-10)17-15(5-6-16)18(14)9-12-8-11(12)2/h3-4,7,11-12H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole?
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole has a molecular weight of 262.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole is sourced from PubChem (CID 113463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).