(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one

C28H32F6N2O2 — CID 89199049

IUPAC(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOC(c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1
InChIInChI=1S/C28H32F6N2O2/c1-16-11-19(13-22(12-16)28(32,33)34)24-17(2)36(26(37)35-24)15-20-14-21(27(29,30)31)9-10-23(20)25(38-3)18-7-5-4-6-8-18/h9-14,17-18,24-25H,4-8,15H2,1-3H3,(H,35,37)/t17-,24-,25?/m0/s1
InChIKeyJIKODESFMOASLK-QJESEVMESA-N
MW542.56 g/mol
LogP7.96
Rot. Bonds6

About (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one

(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 89199049) has the molecular formula C28H32F6N2O2 and a molecular weight of 542.56 g/mol. Its IUPAC name is (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID89199049
Molecular FormulaC28H32F6N2O2
Molecular Weight542.56 g/mol
Exact Mass542.24
IUPAC Name(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOC(c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1
InChIInChI=1S/C28H32F6N2O2/c1-16-11-19(13-22(12-16)28(32,33)34)24-17(2)36(26(37)35-24)15-20-14-21(27(29,30)31)9-10-23(20)25(38-3)18-7-5-4-6-8-18/h9-14,17-18,24-25H,4-8,15H2,1-3H3,(H,35,37)/t17-,24-,25?/m0/s1
InChIKeyJIKODESFMOASLK-QJESEVMESA-N
XLogP7.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.56
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-[[2-[(R)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 89199047
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[methoxy(piperidin-4-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 89198984
(4R,5S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-methylimidazolidin-2-one
CID 11541820
(4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 71024936
[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87637910
[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]cyanamide
CID 86615050
2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde
CID 58968699
tert-butyl N-[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 143769459
2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol
CID 68852821
(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(1-cyclohexyl-1-methoxyethyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 143769452
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 24896152
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 89199049) is (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one is COC(c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1.
What is the InChIKey of (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is JIKODESFMOASLK-QJESEVMESA-N. The full InChI is InChI=1S/C28H32F6N2O2/c1-16-11-19(13-22(12-16)28(32,33)34)24-17(2)36(26(37)35-24)15-20-14-21(27(29,30)31)9-10-23(20)25(38-3)18-7-5-4-6-8-18/h9-14,17-18,24-25H,4-8,15H2,1-3H3,(H,35,37)/t17-,24-,25?/m0/s1.
What are the key properties of (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 542.56 g/mol, XLogP of 7.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 89199049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).