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

C19H18N2O — CID 71359946

IUPAC(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C#Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H18N2O/c1-15-18(17-11-7-4-8-12-17)21(19(22)20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18H,1-2H3/t15-,18-/m0/s1
InChIKeyQNACKCYLRYOQIZ-YJBOKZPZSA-N
MW290.37 g/mol
LogP3.49
Rot. Bonds1

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

(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one (PubChem CID 71359946) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
PubChem CID71359946
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C#Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H18N2O/c1-15-18(17-11-7-4-8-12-17)21(19(22)20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18H,1-2H3/t15-,18-/m0/s1
InChIKeyQNACKCYLRYOQIZ-YJBOKZPZSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one?
The IUPAC name of (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one (CID 71359946) is (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)N(C#Cc2ccccc2)C(=O)N1C.
What is the InChIKey of (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one?
The InChIKey is QNACKCYLRYOQIZ-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H18N2O/c1-15-18(17-11-7-4-8-12-17)21(19(22)20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18H,1-2H3/t15-,18-/m0/s1.
What are the key properties of (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one?
(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one is sourced from PubChem (CID 71359946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).