1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one

C27H27F3N2O2 — CID 58604029

IUPAC1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)NC1=O
InChIInChI=1S/C27H27F3N2O2/c1-17(2)19-9-12-25(34-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-32-16-24(31-26(32)33)18-7-5-4-6-8-18/h4-14,17,24H,15-16H2,1-3H3,(H,31,33)
InChIKeyHFIVOUOOQUSYAQ-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.77
Rot. Bonds6

About 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one

1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one (PubChem CID 58604029) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
PubChem CID58604029
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)NC1=O
InChIInChI=1S/C27H27F3N2O2/c1-17(2)19-9-12-25(34-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-32-16-24(31-26(32)33)18-7-5-4-6-8-18/h4-14,17,24H,15-16H2,1-3H3,(H,31,33)
InChIKeyHFIVOUOOQUSYAQ-UHFFFAOYSA-N
XLogP6.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
CID 71101031
(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57391801
(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
4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine
CID 151567570
4-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidine
CID 91514163
(4R,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-ethyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 56670390
[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-methylcarbamic acid
CID 68873856
[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino] acetate
CID 150996370
(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 87121470
N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 54673873
1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045082
1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 87791926

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one (CID 58604029) is 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)NC1=O.
What is the InChIKey of 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one?
The InChIKey is HFIVOUOOQUSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O2/c1-17(2)19-9-12-25(34-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-32-16-24(31-26(32)33)18-7-5-4-6-8-18/h4-14,17,24H,15-16H2,1-3H3,(H,31,33).
What are the key properties of 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one?
1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one has a molecular weight of 468.52 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 58604029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).