3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide

C25H23F6N3O — CID 46102053

IUPAC3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CCCCC1
InChIInChI=1S/C25H23F6N3O/c1-33(20-5-3-2-4-6-20)23(35)22-14-32-15-34(22)21-9-7-16(8-10-21)17-11-18(24(26,27)28)13-19(12-17)25(29,30)31/h7-15,20H,2-6H2,1H3
InChIKeyWFMANMJLNUONKX-UHFFFAOYSA-N
MW495.47 g/mol
LogP6.98
Rot. Bonds4

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide (PubChem CID 46102053) has the molecular formula C25H23F6N3O and a molecular weight of 495.47 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide
PubChem CID46102053
Molecular FormulaC25H23F6N3O
Molecular Weight495.47 g/mol
Exact Mass495.17
IUPAC Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CCCCC1
InChIInChI=1S/C25H23F6N3O/c1-33(20-5-3-2-4-6-20)23(35)22-14-32-15-34(22)21-9-7-16(8-10-21)17-11-18(24(26,27)28)13-19(12-17)25(29,30)31/h7-15,20H,2-6H2,1H3
InChIKeyWFMANMJLNUONKX-UHFFFAOYSA-N
XLogP6.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.47
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide
CID 46081531
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92773401
3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 119550677
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 163338325
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(2,4-dichloro-6-methylphenyl)methyl]imidazole-4-carboxamide
CID 46081348
N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 24515107
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid
CID 25005941
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide?
The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide (CID 46102053) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide?
The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide is CN(C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CCCCC1.
What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide?
The InChIKey is WFMANMJLNUONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N3O/c1-33(20-5-3-2-4-6-20)23(35)22-14-32-15-34(22)21-9-7-16(8-10-21)17-11-18(24(26,27)28)13-19(12-17)25(29,30)31/h7-15,20H,2-6H2,1H3.
What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide?
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 46102053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).