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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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).