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

C29H31FN4O — CID 124914150

IUPAC1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN4O/c1-20(2)24-7-3-4-8-25(24)32-29(35)21-15-17-33(18-16-21)19-28-31-26-9-5-6-10-27(26)34(28)23-13-11-22(30)12-14-23/h3-14,20-21H,15-19H2,1-2H3,(H,32,35)
InChIKeyWBZSHZCFXFSGOH-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.14
Rot. Bonds6

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

1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 124914150) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID124914150
Molecular FormulaC29H31FN4O
Molecular Weight470.59 g/mol
Exact Mass470.25
IUPAC Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN4O/c1-20(2)24-7-3-4-8-25(24)32-29(35)21-15-17-33(18-16-21)19-28-31-26-9-5-6-10-27(26)34(28)23-13-11-22(30)12-14-23/h3-14,20-21H,15-19H2,1-2H3,(H,32,35)
InChIKeyWBZSHZCFXFSGOH-UHFFFAOYSA-N
XLogP6.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914079
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 124786939
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 124805858
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 124824680
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 124914150) is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is WBZSHZCFXFSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-20(2)24-7-3-4-8-25(24)32-29(35)21-15-17-33(18-16-21)19-28-31-26-9-5-6-10-27(26)34(28)23-13-11-22(30)12-14-23/h3-14,20-21H,15-19H2,1-2H3,(H,32,35).
What are the key properties of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 124914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).