2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole

C15H20ClN3 — CID 62640925

IUPAC2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CCN1CCCC1
InChIInChI=1S/C15H20ClN3/c1-12-4-5-14-13(10-12)17-15(11-16)19(14)9-8-18-6-2-3-7-18/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyHAYCMLNVYAGMIH-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.18
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole

2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole (PubChem CID 62640925) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
PubChem CID62640925
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CCN1CCCC1
InChIInChI=1S/C15H20ClN3/c1-12-4-5-14-13(10-12)17-15(11-16)19(14)9-8-18-6-2-3-7-18/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyHAYCMLNVYAGMIH-UHFFFAOYSA-N
XLogP3.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)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-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
4-[2-[2-(chloromethyl)-6-methylbenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326534
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methylbenzimidazole
CID 107164708
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole (CID 62640925) is 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole is Cc1ccc2c(c1)nc(CCl)n2CCN1CCCC1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The InChIKey is HAYCMLNVYAGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-12-4-5-14-13(10-12)17-15(11-16)19(14)9-8-18-6-2-3-7-18/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 62640925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).