(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one

C27H30N2O3 — CID 101122993

IUPAC(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one
SMILESCCCCO[C@@H]1[C@@H](c2ccccc2)N(c2ccc(OC)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-3-4-19-32-26-25(22-13-9-6-10-14-22)29(23-15-17-24(31-2)18-16-23)27(30)28(26)20-21-11-7-5-8-12-21/h5-18,25-26H,3-4,19-20H2,1-2H3/t25-,26-/m1/s1
InChIKeyFMXRPONDPLLLBU-CLJLJLNGSA-N
MW430.55 g/mol
LogP6.02
Rot. Bonds9

About (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one

(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one (PubChem CID 101122993) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one
PubChem CID101122993
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one
SMILESCCCCO[C@@H]1[C@@H](c2ccccc2)N(c2ccc(OC)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-3-4-19-32-26-25(22-13-9-6-10-14-22)29(23-15-17-24(31-2)18-16-23)27(30)28(26)20-21-11-7-5-8-12-21/h5-18,25-26H,3-4,19-20H2,1-2H3/t25-,26-/m1/s1
InChIKeyFMXRPONDPLLLBU-CLJLJLNGSA-N
XLogP6.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(7aR)-6-benzyl-7-hexoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 67753595
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
CID 134944587
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 166443703
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one?
The IUPAC name of (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one (CID 101122993) is (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one is CCCCO[C@@H]1[C@@H](c2ccccc2)N(c2ccc(OC)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one?
The InChIKey is FMXRPONDPLLLBU-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-4-19-32-26-25(22-13-9-6-10-14-22)29(23-15-17-24(31-2)18-16-23)27(30)28(26)20-21-11-7-5-8-12-21/h5-18,25-26H,3-4,19-20H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one?
(4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one has a molecular weight of 430.55 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-benzyl-5-butoxy-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 101122993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).