(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one

C27H30N2O3 — CID 10574666

IUPAC(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N(c3ccc(OC)cc3)[C@@H](C(C)(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-27(2,3)25-24(19-9-7-6-8-10-19)28(20-11-15-22(31-4)16-12-20)26(30)29(25)21-13-17-23(32-5)18-14-21/h6-18,24-25H,1-5H3/t24-,25+/m0/s1
InChIKeyKUCFPZFHNCWUHD-LOSJGSFVSA-N
MW430.55 g/mol
LogP6.31
Rot. Bonds5

About (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one

(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one (PubChem CID 10574666) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
PubChem CID10574666
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N(c3ccc(OC)cc3)[C@@H](C(C)(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-27(2,3)25-24(19-9-7-6-8-10-19)28(20-11-15-22(31-4)16-12-20)26(30)29(25)21-13-17-23(32-5)18-14-21/h6-18,24-25H,1-5H3/t24-,25+/m0/s1
InChIKeyKUCFPZFHNCWUHD-LOSJGSFVSA-N
XLogP6.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one
CID 101122993
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102287455
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one (CID 10574666) is (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one is COc1ccc(N2C(=O)N(c3ccc(OC)cc3)[C@@H](C(C)(C)C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one?
The InChIKey is KUCFPZFHNCWUHD-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-27(2,3)25-24(19-9-7-6-8-10-19)28(20-11-15-22(31-4)16-12-20)26(30)29(25)21-13-17-23(32-5)18-14-21/h6-18,24-25H,1-5H3/t24-,25+/m0/s1.
What are the key properties of (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one?
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one has a molecular weight of 430.55 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one is sourced from PubChem (CID 10574666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).