1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole

C23H23FN4 — CID 45273828

IUPAC1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole
SMILESFc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)25-23(28)27-15-11-20(12-16-27)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2
InChIKeyNAGKIWFBALBSMD-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.87
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole

1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole (PubChem CID 45273828) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole
PubChem CID45273828
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole
SMILESFc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)25-23(28)27-15-11-20(12-16-27)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2
InChIKeyNAGKIWFBALBSMD-UHFFFAOYSA-N
XLogP4.87
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole (CID 45273828) is 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole is Fc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole?
The InChIKey is NAGKIWFBALBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)25-23(28)27-15-11-20(12-16-27)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole?
1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole has a molecular weight of 374.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(4-pyrrol-1-ylpiperidin-1-yl)benzimidazole is sourced from PubChem (CID 45273828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).