3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide

C24H25F2N3O — CID 92768428

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H25F2N3O/c1-15-4-3-5-22(16(15)2)28-24(30)23-13-27-14-29(23)19-9-6-17(7-10-19)18-8-11-20(25)21(26)12-18/h6-16,22H,3-5H2,1-2H3,(H,28,30)/t15-,16-,22+/m1/s1
InChIKeySXXAKXAHCOVSFO-MCFFVMPBSA-N
MW409.48 g/mol
LogP5.37
Rot. Bonds4

About 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide

3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide (PubChem CID 92768428) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
PubChem CID92768428
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H25F2N3O/c1-15-4-3-5-22(16(15)2)28-24(30)23-13-27-14-29(23)19-9-6-17(7-10-19)18-8-11-20(25)21(26)12-18/h6-16,22H,3-5H2,1-2H3,(H,28,30)/t15-,16-,22+/m1/s1
InChIKeySXXAKXAHCOVSFO-MCFFVMPBSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 92818769
N-(2,3-dimethylcyclohexyl)-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46102818
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92768819
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
CID 98328604
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 163338325
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 92772891
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide (CID 92768428) is 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide?
The InChIKey is SXXAKXAHCOVSFO-MCFFVMPBSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-15-4-3-5-22(16(15)2)28-24(30)23-13-27-14-29(23)19-9-6-17(7-10-19)18-8-11-20(25)21(26)12-18/h6-16,22H,3-5H2,1-2H3,(H,28,30)/t15-,16-,22+/m1/s1.
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide?
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 5.37, 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-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 92768428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).