1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C25H29F3N4O — CID 42880094

IUPAC1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCC(C)n1c(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)nc2ccccc21
InChIInChI=1S/C25H29F3N4O/c1-3-17(2)32-22-12-5-4-11-21(22)30-24(32)31-13-7-9-19(16-31)23(33)29-15-18-8-6-10-20(14-18)25(26,27)28/h4-6,8,10-12,14,17,19H,3,7,9,13,15-16H2,1-2H3,(H,29,33)
InChIKeyGEKQTOQRLYDBIW-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.56
Rot. Bonds6

About 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 42880094) has the molecular formula C25H29F3N4O and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID42880094
Molecular FormulaC25H29F3N4O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCC(C)n1c(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)nc2ccccc21
InChIInChI=1S/C25H29F3N4O/c1-3-17(2)32-22-12-5-4-11-21(22)30-24(32)31-13-7-9-19(16-31)23(33)29-15-18-8-6-10-20(14-18)25(26,27)28/h4-6,8,10-12,14,17,19H,3,7,9,13,15-16H2,1-2H3,(H,29,33)
InChIKeyGEKQTOQRLYDBIW-UHFFFAOYSA-N
XLogP5.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
(3S)-1-(3-phenoxypyrazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92897302
1-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 74645148
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 3666556
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 42880094) is 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CCC(C)n1c(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GEKQTOQRLYDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O/c1-3-17(2)32-22-12-5-4-11-21(22)30-24(32)31-13-7-9-19(16-31)23(33)29-15-18-8-6-10-20(14-18)25(26,27)28/h4-6,8,10-12,14,17,19H,3,7,9,13,15-16H2,1-2H3,(H,29,33).
What are the key properties of 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylbenzimidazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42880094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).