1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide

C29H31FN4O — CID 20886832

IUPAC1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C29H31FN4O/c1-21(23-9-3-2-4-10-23)19-31-28(35)24-14-16-33(17-15-24)29-32-26-12-5-6-13-27(26)34(29)20-22-8-7-11-25(30)18-22/h2-13,18,21,24H,14-17,19-20H2,1H3,(H,31,35)
InChIKeyVGRXEZUQMGEVLR-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.36
Rot. Bonds7

About 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 20886832) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID20886832
Molecular FormulaC29H31FN4O
Molecular Weight470.59 g/mol
Exact Mass470.25
IUPAC Name1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C29H31FN4O/c1-21(23-9-3-2-4-10-23)19-31-28(35)24-14-16-33(17-15-24)29-32-26-12-5-6-13-27(26)34(29)20-22-8-7-11-25(30)18-22/h2-13,18,21,24H,14-17,19-20H2,1H3,(H,31,35)
InChIKeyVGRXEZUQMGEVLR-UHFFFAOYSA-N
XLogP5.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 46261056
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887026
N-(2,4-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887087
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20887075
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 20886832) is 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is VGRXEZUQMGEVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-21(23-9-3-2-4-10-23)19-31-28(35)24-14-16-33(17-15-24)29-32-26-12-5-6-13-27(26)34(29)20-22-8-7-11-25(30)18-22/h2-13,18,21,24H,14-17,19-20H2,1H3,(H,31,35).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).