N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C23H23F3N4O — CID 51361085

IUPACN-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)22-28-19(17-9-5-2-6-10-17)20(29-22)21(31)27-18-11-13-30(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,27,31)(H,28,29)
InChIKeyKRBXWSVJQLTICR-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.49
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361085) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361085
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)22-28-19(17-9-5-2-6-10-17)20(29-22)21(31)27-18-11-13-30(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,27,31)(H,28,29)
InChIKeyKRBXWSVJQLTICR-UHFFFAOYSA-N
XLogP4.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CID 128784
2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxamide
CID 11996351
8-[(dibenzylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 662855
(2S)-N-[(1S)-1-[4-carbamoyl-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162650292
(2S)-N-[(1S)-1-[4-carbamoyl-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162665723
8-Biphenyl-4-yl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 13525056
N-(2-Acetyl-phenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylamide
CID 9892149
(3R)-3-amino-1-(4-benzyl-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10255762
(3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10324641
(4-isopropylpiperazin-1-yl)(5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazol-4-yl)methanone
CID 11635706
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)benzamide
CID 11742693
1,3-Dimethyl-8-(4-trifluoromethyl-phenyl)-3,7-dihydro-purine-2,6-dione
CID 44322452

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361085) is N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is KRBXWSVJQLTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)22-28-19(17-9-5-2-6-10-17)20(29-22)21(31)27-18-11-13-30(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,27,31)(H,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).