(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one

C19H27N3O — CID 24805680

IUPAC(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
SMILESCC(C)C[C@@H]1N=C(N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)[C@H]1C
InChIInChI=1S/C19H27N3O/c1-12(2)11-16-13(3)18(20-16)22-17(14(4)21(5)19(22)23)15-9-7-6-8-10-15/h6-10,12-14,16-17H,11H2,1-5H3/t13-,14-,16-,17-/m0/s1
InChIKeyPIJNGKZACUSNIM-OTRWWLKZSA-N
MW313.44 g/mol
LogP3.95
Rot. Bonds3

About (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one

(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 24805680) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
PubChem CID24805680
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
SMILESCC(C)C[C@@H]1N=C(N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)[C@H]1C
InChIInChI=1S/C19H27N3O/c1-12(2)11-16-13(3)18(20-16)22-17(14(4)21(5)19(22)23)15-9-7-6-8-10-15/h6-10,12-14,16-17H,11H2,1-5H3/t13-,14-,16-,17-/m0/s1
InChIKeyPIJNGKZACUSNIM-OTRWWLKZSA-N
XLogP3.95
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one with MolForge

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Related Compounds

1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
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CID 10542265
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
CID 10851005
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10730915
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
CID 71359946
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one (CID 24805680) is (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one is CC(C)C[C@@H]1N=C(N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is PIJNGKZACUSNIM-OTRWWLKZSA-N. The full InChI is InChI=1S/C19H27N3O/c1-12(2)11-16-13(3)18(20-16)22-17(14(4)21(5)19(22)23)15-9-7-6-8-10-15/h6-10,12-14,16-17H,11H2,1-5H3/t13-,14-,16-,17-/m0/s1.
What are the key properties of (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one?
(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 24805680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).