(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one

C31H30N2O5 — CID 11124062

IUPAC(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30N2O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)33(24-11-19-28(38-4)20-12-24)31(34)32(29)23-9-17-27(37-3)18-10-23/h5-20,29-30H,1-4H3/t29-,30-/m1/s1
InChIKeyHWJDDRYUCWXZON-LOYHVIPDSA-N
MW510.59 g/mol
LogP6.65
Rot. Bonds8

About (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one

(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 11124062) has the molecular formula C31H30N2O5 and a molecular weight of 510.59 g/mol. Its IUPAC name is (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
PubChem CID11124062
Molecular FormulaC31H30N2O5
Molecular Weight510.59 g/mol
Exact Mass510.22
IUPAC Name(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30N2O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)33(24-11-19-28(38-4)20-12-24)31(34)32(29)23-9-17-27(37-3)18-10-23/h5-20,29-30H,1-4H3/t29-,30-/m1/s1
InChIKeyHWJDDRYUCWXZON-LOYHVIPDSA-N
XLogP6.65
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one (CID 11124062) is (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one is COc1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is HWJDDRYUCWXZON-LOYHVIPDSA-N. The full InChI is InChI=1S/C31H30N2O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)33(24-11-19-28(38-4)20-12-24)31(34)32(29)23-9-17-27(37-3)18-10-23/h5-20,29-30H,1-4H3/t29-,30-/m1/s1.
What are the key properties of (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one?
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 510.59 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 11124062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).