(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one

C22H26N2O4 — CID 139725454

IUPAC(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one
SMILESCOC(OC)[C@H](C)C(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(21(27-3)28-4)20(25)24-19(17-13-9-6-10-14-17)18(23(2)22(24)26)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19+/m1/s1
InChIKeyZIRLUTWLYFYRDA-MNEFBYGVSA-N
MW382.46 g/mol
LogP3.62
Rot. Bonds6

About (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one

(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one (PubChem CID 139725454) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one
PubChem CID139725454
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one
SMILESCOC(OC)[C@H](C)C(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(21(27-3)28-4)20(25)24-19(17-13-9-6-10-14-17)18(23(2)22(24)26)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19+/m1/s1
InChIKeyZIRLUTWLYFYRDA-MNEFBYGVSA-N
XLogP3.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
CID 59890448
ethyl (4S)-4-(benzhydrylideneamino)-5-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-methyl-5-oxopentanoate
CID 102016203
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one?
The IUPAC name of (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one (CID 139725454) is (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one?
The canonical SMILES for (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one is COC(OC)[C@H](C)C(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one?
The InChIKey is ZIRLUTWLYFYRDA-MNEFBYGVSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(21(27-3)28-4)20(25)24-19(17-13-9-6-10-14-17)18(23(2)22(24)26)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19+/m1/s1.
What are the key properties of (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one?
(4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-3-methyl-4,5-diphenylimidazolidin-2-one is sourced from PubChem (CID 139725454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).