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

C30H31N3O2 — CID 92818769

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C30H31N3O2/c1-21-8-6-13-28(22(21)2)32-30(34)29-19-31-20-33(29)25-10-7-9-24(18-25)23-14-16-27(17-15-23)35-26-11-4-3-5-12-26/h3-5,7,9-12,14-22,28H,6,8,13H2,1-2H3,(H,32,34)/t21-,22-,28-/m1/s1
InChIKeyHFVFEAGIRSDATK-DQCZWYHMSA-N
MW465.60 g/mol
LogP6.89
Rot. Bonds6

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

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 92818769) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
PubChem CID92818769
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C30H31N3O2/c1-21-8-6-13-28(22(21)2)32-30(34)29-19-31-20-33(29)25-10-7-9-24(18-25)23-14-16-27(17-15-23)35-26-11-4-3-5-12-26/h3-5,7,9-12,14-22,28H,6,8,13H2,1-2H3,(H,32,34)/t21-,22-,28-/m1/s1
InChIKeyHFVFEAGIRSDATK-DQCZWYHMSA-N
XLogP6.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46102818
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
CID 92768428
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103105
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 92698566
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 163338325
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92770866
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
CID 100656473
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896713
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896715
3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 92772891
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide (CID 92818769) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is HFVFEAGIRSDATK-DQCZWYHMSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-21-8-6-13-28(22(21)2)32-30(34)29-19-31-20-33(29)25-10-7-9-24(18-25)23-14-16-27(17-15-23)35-26-11-4-3-5-12-26/h3-5,7,9-12,14-22,28H,6,8,13H2,1-2H3,(H,32,34)/t21-,22-,28-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 92818769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).