(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one

C18H20N2O — CID 59884098

IUPAC(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one
SMILESCC1(C)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H20N2O/c1-18(2)19-16(17(21)20-18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyQWZVQLUSMFWDRN-INIZCTEOSA-N
MW280.37 g/mol
LogP2.72
Rot. Bonds3

About (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one

(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one (PubChem CID 59884098) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one
PubChem CID59884098
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one
SMILESCC1(C)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H20N2O/c1-18(2)19-16(17(21)20-18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyQWZVQLUSMFWDRN-INIZCTEOSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
CID 59884112
(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
CID 59884066
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
CID 90424935
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
(2R,4S)-4-benzyl-2-chloro-2-methyl-1,3-oxazolidin-5-one;(2S,4S)-4-benzyl-2-chloro-2-methyl-1,3-oxazolidin-5-one;bis(1,2,3,4,5-pentamethylcyclopentane)
CID 162298798
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
6-benzylpiperazine-2,3,5-trione
CID 14446168
(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one
CID 18648107
3,5-dibenzyl-2,2-dimethylimidazolidin-4-one
CID 69255258
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(6S)-6-benzyl-3-hexyl-3-(hydroxymethyl)piperazine-2,5-dione
CID 102422649
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one (CID 59884098) is (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one is CC1(C)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The InChIKey is QWZVQLUSMFWDRN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2)19-16(17(21)20-18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one?
(5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one has a molecular weight of 280.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 59884098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).