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

C25H31FN4O — CID 20882882

IUPAC1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN4O/c1-18(2)11-14-27-24(31)20-12-15-29(16-13-20)25-28-22-5-3-4-6-23(22)30(25)17-19-7-9-21(26)10-8-19/h3-10,18,20H,11-17H2,1-2H3,(H,27,31)
InChIKeyKKZTVOYDAXITAB-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.60
Rot. Bonds7

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

1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 20882882) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID20882882
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN4O/c1-18(2)11-14-27-24(31)20-12-15-29(16-13-20)25-28-22-5-3-4-6-23(22)30(25)17-19-7-9-21(26)10-8-19/h3-10,18,20H,11-17H2,1-2H3,(H,27,31)
InChIKeyKKZTVOYDAXITAB-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 90040854
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882892
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
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-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
CID 90040249

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 20882882) is 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is KKZTVOYDAXITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-18(2)11-14-27-24(31)20-12-15-29(16-13-20)25-28-22-5-3-4-6-23(22)30(25)17-19-7-9-21(26)10-8-19/h3-10,18,20H,11-17H2,1-2H3,(H,27,31).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 20882882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).