(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one

C14H20N2O — CID 10966388

IUPAC(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
SMILESCC(C)C[C@H]1C(=O)N[C@@H](c2ccccc2)N1C
InChIInChI=1S/C14H20N2O/c1-10(2)9-12-14(17)15-13(16(12)3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,15,17)/t12-,13+/m0/s1
InChIKeyKKAZFLMPZXGDFZ-QWHCGFSZSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds3

About (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one

(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one (PubChem CID 10966388) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
PubChem CID10966388
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
SMILESCC(C)C[C@H]1C(=O)N[C@@H](c2ccccc2)N1C
InChIInChI=1S/C14H20N2O/c1-10(2)9-12-14(17)15-13(16(12)3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,15,17)/t12-,13+/m0/s1
InChIKeyKKAZFLMPZXGDFZ-QWHCGFSZSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10933359
(3R,6S,9S,12S,15R)-12-benzyl-1-methyl-6,9,15-tris(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102076216
(3R,6R,9R,12R,15R)-12-benzyl-1-methyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11353895
(3S,6S,9S,12S,15S)-12-benzyl-1-methyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11444787
(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
CID 10851005
(3R,6R,9R,12R,15R)-12-benzyl-1,7-dimethyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11284974
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
CID 12013114
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
(3R,6R,9R,12R,15R)-3-benzyl-1,7-dimethyl-6,12-bis(2-methylpropyl)-9,15-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25016987
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one?
The IUPAC name of (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one (CID 10966388) is (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one is CC(C)C[C@H]1C(=O)N[C@@H](c2ccccc2)N1C.
What is the InChIKey of (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one?
The InChIKey is KKAZFLMPZXGDFZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)9-12-14(17)15-13(16(12)3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,15,17)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one?
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 10966388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).