N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide

C26H31FN4O — CID 90040198

IUPACN-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H31FN4O/c27-21-10-6-7-19(17-21)18-31-24-12-5-4-11-23(24)29-26(31)30-15-13-22(14-16-30)28-25(32)20-8-2-1-3-9-20/h4-7,10-12,17,20,22H,1-3,8-9,13-16,18H2,(H,28,32)
InChIKeyFNPPUGOMLNBTQV-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.89
Rot. Bonds5

About N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 90040198) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID90040198
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H31FN4O/c27-21-10-6-7-19(17-21)18-31-24-12-5-4-11-23(24)29-26(31)30-15-13-22(14-16-30)28-25(32)20-8-2-1-3-9-20/h4-7,10-12,17,20,22H,1-3,8-9,13-16,18H2,(H,28,32)
InChIKeyFNPPUGOMLNBTQV-UHFFFAOYSA-N
XLogP4.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 46261056
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
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886832
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide (CID 90040198) is N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is FNPPUGOMLNBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c27-21-10-6-7-19(17-21)18-31-24-12-5-4-11-23(24)29-26(31)30-15-13-22(14-16-30)28-25(32)20-8-2-1-3-9-20/h4-7,10-12,17,20,22H,1-3,8-9,13-16,18H2,(H,28,32).
What are the key properties of N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90040198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).