N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

C25H28F3N3O — CID 92769989

IUPACN-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C25H28F3N3O/c1-3-5-9-18(4-2)15-30-24(32)23-16-29-17-31(23)20-11-8-10-19(14-20)21-12-6-7-13-22(21)25(26,27)28/h6-8,10-14,16-18H,3-5,9,15H2,1-2H3,(H,30,32)/t18-/m1/s1
InChIKeyUDGDJJMGJHVKDJ-GOSISDBHSA-N
MW443.51 g/mol
LogP6.50
Rot. Bonds9

About N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 92769989) has the molecular formula C25H28F3N3O and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID92769989
Molecular FormulaC25H28F3N3O
Molecular Weight443.51 g/mol
Exact Mass443.22
IUPAC NameN-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C25H28F3N3O/c1-3-5-9-18(4-2)15-30-24(32)23-16-29-17-31(23)20-11-8-10-19(14-20)21-12-6-7-13-22(21)25(26,27)28/h6-8,10-14,16-18H,3-5,9,15H2,1-2H3,(H,30,32)/t18-/m1/s1
InChIKeyUDGDJJMGJHVKDJ-GOSISDBHSA-N
XLogP6.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081560
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92771028
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
3-(3-dibenzothiophen-4-ylphenyl)-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92822182
N-[(2S)-2-ethylhexyl]-7-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 92769342
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (CID 92769989) is N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is CCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is UDGDJJMGJHVKDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28F3N3O/c1-3-5-9-18(4-2)15-30-24(32)23-16-29-17-31(23)20-11-8-10-19(14-20)21-12-6-7-13-22(21)25(26,27)28/h6-8,10-14,16-18H,3-5,9,15H2,1-2H3,(H,30,32)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 92769989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).