2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole

C15H19ClFN3 — CID 103593490

IUPAC2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2C1CCN(C)C1
InChIInChI=1S/C15H19ClFN3/c1-10-7-14-13(8-12(10)17)18-15(3-5-16)20(14)11-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZVVGWBKDGLFLAH-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole

2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole (PubChem CID 103593490) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
PubChem CID103593490
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2C1CCN(C)C1
InChIInChI=1S/C15H19ClFN3/c1-10-7-14-13(8-12(10)17)18-15(3-5-16)20(14)11-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZVVGWBKDGLFLAH-UHFFFAOYSA-N
XLogP3.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)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)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593824
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 66086538
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020601
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[1-(oxolan-3-yl)ethyl]benzimidazole
CID 103594068
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylbenzimidazole
CID 103593961

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole (CID 103593490) is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole is Cc1cc2c(cc1F)nc(CCCl)n2C1CCN(C)C1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole?
The InChIKey is ZVVGWBKDGLFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10-7-14-13(8-12(10)17)18-15(3-5-16)20(14)11-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole has a molecular weight of 295.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 103593490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).