(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one

C27H30N2O2 — CID 71101031

IUPAC(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C)cc1CN1C[C@@H](c2ccccc2)NC1=O
InChIInChI=1S/C27H30N2O2/c1-18(2)21-11-13-26(31-4)24(15-21)23-12-10-19(3)14-22(23)16-29-17-25(28-27(29)30)20-8-6-5-7-9-20/h5-15,18,25H,16-17H2,1-4H3,(H,28,30)/t25-/m0/s1
InChIKeyISHOBHWAIVCCLJ-VWLOTQADSA-N
MW414.55 g/mol
LogP6.06
Rot. Bonds6

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

(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one (PubChem CID 71101031) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
PubChem CID71101031
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C)cc1CN1C[C@@H](c2ccccc2)NC1=O
InChIInChI=1S/C27H30N2O2/c1-18(2)21-11-13-26(31-4)24(15-21)23-12-10-19(3)14-22(23)16-29-17-25(28-27(29)30)20-8-6-5-7-9-20/h5-15,18,25H,16-17H2,1-4H3,(H,28,30)/t25-/m0/s1
InChIKeyISHOBHWAIVCCLJ-VWLOTQADSA-N
XLogP6.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one (CID 71101031) is (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one is COc1ccc(C(C)C)cc1-c1ccc(C)cc1CN1C[C@@H](c2ccccc2)NC1=O.
What is the InChIKey of (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one?
The InChIKey is ISHOBHWAIVCCLJ-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-18(2)21-11-13-26(31-4)24(15-21)23-12-10-19(3)14-22(23)16-29-17-25(28-27(29)30)20-8-6-5-7-9-20/h5-15,18,25H,16-17H2,1-4H3,(H,28,30)/t25-/m0/s1.
What are the key properties of (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one?
(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one has a molecular weight of 414.55 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 71101031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).