(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione

C10H10N2O2 — CID 53360215

IUPAC(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([13CH2]c2ccccc2)N1
InChIInChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1/i6+1
InChIKeyDBOMTIHROGSFTI-JCNVXSMLSA-N
MW191.19 g/mol
LogP0.44
Rot. Bonds2

About (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione

(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione (PubChem CID 53360215) has the molecular formula C10H10N2O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
PubChem CID53360215
Molecular FormulaC10H10N2O2
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([13CH2]c2ccccc2)N1
InChIInChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1/i6+1
InChIKeyDBOMTIHROGSFTI-JCNVXSMLSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione (CID 53360215) is (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@H]([13CH2]c2ccccc2)N1.
What is the InChIKey of (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione?
The InChIKey is DBOMTIHROGSFTI-JCNVXSMLSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1/i6+1.
What are the key properties of (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione?
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione is sourced from PubChem (CID 53360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).