(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one

C14H18N2O2 — CID 59890448

IUPAC(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
SMILESCCC(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H18N2O2/c1-4-12(17)16-10(2)13(15(3)14(16)18)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t10-,13-/m1/s1
InChIKeyLKUKJSKRQJYMLY-ZWNOBZJWSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds2

About (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one

(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one (PubChem CID 59890448) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
PubChem CID59890448
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
SMILESCCC(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H18N2O2/c1-4-12(17)16-10(2)13(15(3)14(16)18)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t10-,13-/m1/s1
InChIKeyLKUKJSKRQJYMLY-ZWNOBZJWSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11024926
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
(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
(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
CID 69265232

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one?
The IUPAC name of (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one (CID 59890448) is (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one is CCC(=O)N1C(=O)N(C)[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one?
The InChIKey is LKUKJSKRQJYMLY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-12(17)16-10(2)13(15(3)14(16)18)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one?
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one is sourced from PubChem (CID 59890448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).