(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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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).