3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide

C25H27F2N3O — CID 92768819

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1
InChIInChI=1S/C25H27F2N3O/c1-16-10-19(13-25(2,3)12-16)29-24(31)23-14-28-15-30(23)20-7-4-17(5-8-20)18-6-9-21(26)22(27)11-18/h4-9,11,14-16,19H,10,12-13H2,1-3H3,(H,29,31)/t16-,19-/m1/s1
InChIKeyNGPVCGYBFHVLFJ-VQIMIIECSA-N
MW423.51 g/mol
LogP5.76
Rot. Bonds4

About 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide

3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide (PubChem CID 92768819) has the molecular formula C25H27F2N3O and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
PubChem CID92768819
Molecular FormulaC25H27F2N3O
Molecular Weight423.51 g/mol
Exact Mass423.21
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1
InChIInChI=1S/C25H27F2N3O/c1-16-10-19(13-25(2,3)12-16)29-24(31)23-14-28-15-30(23)20-7-4-17(5-8-20)18-6-9-21(26)22(27)11-18/h4-9,11,14-16,19H,10,12-13H2,1-3H3,(H,29,31)/t16-,19-/m1/s1
InChIKeyNGPVCGYBFHVLFJ-VQIMIIECSA-N
XLogP5.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide with MolForge

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Related Compounds

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92773401
3-[3-(3-chlorophenyl)phenyl]-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92768923
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92770866
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
CID 92768428
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92771117
3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92822352
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
N-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 126770065
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
1-phenyl-N-(3,3,5-trimethylcyclohexyl)benzimidazole-5-carboxamide
CID 121080156
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide (CID 92768819) is 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide is C[C@@H]1C[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The InChIKey is NGPVCGYBFHVLFJ-VQIMIIECSA-N. The full InChI is InChI=1S/C25H27F2N3O/c1-16-10-19(13-25(2,3)12-16)29-24(31)23-14-28-15-30(23)20-7-4-17(5-8-20)18-6-9-21(26)22(27)11-18/h4-9,11,14-16,19H,10,12-13H2,1-3H3,(H,29,31)/t16-,19-/m1/s1.
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 92768819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).