1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole

C20H22FN3 — CID 46861860

IUPAC1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole
SMILESCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3
InChIKeyAXIFLPLKZRNVDP-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.03
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole

1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole (PubChem CID 46861860) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole
PubChem CID46861860
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole
SMILESCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3
InChIKeyAXIFLPLKZRNVDP-UHFFFAOYSA-N
XLogP4.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole (CID 46861860) is 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole is CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole?
The InChIKey is AXIFLPLKZRNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole?
1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole has a molecular weight of 323.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 46861860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).