1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C28H29FN4O — CID 20882851

IUPAC1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C28H29FN4O/c29-24-11-5-4-10-23(24)20-33-26-13-7-6-12-25(26)31-28(33)32-18-15-22(16-19-32)27(34)30-17-14-21-8-2-1-3-9-21/h1-13,22H,14-20H2,(H,30,34)
InChIKeyADZBLNYNJSJISH-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.80
Rot. Bonds7

About 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 20882851) has the molecular formula C28H29FN4O and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID20882851
Molecular FormulaC28H29FN4O
Molecular Weight456.57 g/mol
Exact Mass456.23
IUPAC Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C28H29FN4O/c29-24-11-5-4-10-23(24)20-33-26-13-7-6-12-25(26)31-28(33)32-18-15-22(16-19-32)27(34)30-17-14-21-8-2-1-3-9-21/h1-13,22H,14-20H2,(H,30,34)
InChIKeyADZBLNYNJSJISH-UHFFFAOYSA-N
XLogP4.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide 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

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
CID 20886895
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
N-[2-(3-fluorophenyl)ethyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16669104
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 46108688
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 20882851) is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is ADZBLNYNJSJISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O/c29-24-11-5-4-10-23(24)20-33-26-13-7-6-12-25(26)31-28(33)32-18-15-22(16-19-32)27(34)30-17-14-21-8-2-1-3-9-21/h1-13,22H,14-20H2,(H,30,34).
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20882851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).