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

C11H14N2O — CID 6931391

IUPAC(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)NC(=O)N1C
InChIInChI=1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKeyBGPAZBKCZVVZGF-WPRPVWTQSA-N
MW190.25 g/mol
LogP1.77
Rot. Bonds1

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

(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one (PubChem CID 6931391) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one
PubChem CID6931391
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)NC(=O)N1C
InChIInChI=1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKeyBGPAZBKCZVVZGF-WPRPVWTQSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one?
The IUPAC name of (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one (CID 6931391) is (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)NC(=O)N1C.
What is the InChIKey of (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one?
The InChIKey is BGPAZBKCZVVZGF-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m0/s1.
What are the key properties of (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one?
(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one is sourced from PubChem (CID 6931391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).