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

C29H31FN4O — CID 20886909

IUPAC1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C29H31FN4O/c1-21(22-9-3-2-4-10-22)19-31-28(35)23-15-17-33(18-16-23)29-32-26-13-7-8-14-27(26)34(29)20-24-11-5-6-12-25(24)30/h2-14,21,23H,15-20H2,1H3,(H,31,35)
InChIKeyCZVKUSFVWYEOMI-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.36
Rot. Bonds7

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

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 20886909) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID20886909
Molecular FormulaC29H31FN4O
Molecular Weight470.59 g/mol
Exact Mass470.25
IUPAC Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C29H31FN4O/c1-21(22-9-3-2-4-10-22)19-31-28(35)23-15-17-33(18-16-23)29-32-26-13-7-8-14-27(26)34(29)20-24-11-5-6-12-25(24)30/h2-14,21,23H,15-20H2,1H3,(H,31,35)
InChIKeyCZVKUSFVWYEOMI-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-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886832
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
CID 20886895
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
tert-butyl N-[(3S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174166

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 20886909) is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is CZVKUSFVWYEOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-21(22-9-3-2-4-10-22)19-31-28(35)23-15-17-33(18-16-23)29-32-26-13-7-8-14-27(26)34(29)20-24-11-5-6-12-25(24)30/h2-14,21,23H,15-20H2,1H3,(H,31,35).
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-[1-[(2-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-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20886909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).