1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

C19H20ClN3 — CID 2782

💊View drug profile → clemizole
IUPAC1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESClc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.33
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 2782) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID2782
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESClc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)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

Clemizole Hydrochloride
CID 5309446
Chlormidazole
CID 71821
Chlorfenazole
CID 77123
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847
4-Chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
CID 492667
1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
CID 887666
1-Benzyl-1H-benzimidazole
CID 563347

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 2782) is 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is CJXAEXPPLWQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 325.84 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 2782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).