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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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).