1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione

C17H17N3O2 — CID 99781472

IUPAC1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N([C@@H](c2ccccc2)c2ccccn2)C1=O
InChIInChI=1S/C17H17N3O2/c1-2-19-12-15(21)20(17(19)22)16(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,16H,2,12H2,1H3/t16-/m0/s1
InChIKeyPTHJNOILHFBXIA-INIZCTEOSA-N
MW295.34 g/mol
LogP2.46
Rot. Bonds4

About 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione

1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 99781472) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID99781472
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N([C@@H](c2ccccc2)c2ccccn2)C1=O
InChIInChI=1S/C17H17N3O2/c1-2-19-12-15(21)20(17(19)22)16(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,16H,2,12H2,1H3/t16-/m0/s1
InChIKeyPTHJNOILHFBXIA-INIZCTEOSA-N
XLogP2.46
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione (CID 99781472) is 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione is CCN1CC(=O)N([C@@H](c2ccccc2)c2ccccn2)C1=O.
What is the InChIKey of 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PTHJNOILHFBXIA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-19-12-15(21)20(17(19)22)16(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,16H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione?
1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(S)-phenyl(pyridin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99781472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).