(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione

C15H17N5O2 — CID 95144362

IUPAC(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCc2nc(CCc3ccccc3)n[nH]2)N1
InChIInChI=1S/C15H17N5O2/c21-14-11(16-15(22)18-14)7-9-13-17-12(19-20-13)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19,20)(H2,16,18,21,22)/t11-/m0/s1
InChIKeyNUPPWFDMFDFYAN-NSHDSACASA-N
MW299.33 g/mol
LogP0.73
Rot. Bonds6

About (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95144362) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
PubChem CID95144362
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCc2nc(CCc3ccccc3)n[nH]2)N1
InChIInChI=1S/C15H17N5O2/c21-14-11(16-15(22)18-14)7-9-13-17-12(19-20-13)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19,20)(H2,16,18,21,22)/t11-/m0/s1
InChIKeyNUPPWFDMFDFYAN-NSHDSACASA-N
XLogP0.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione (CID 95144362) is (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CCc2nc(CCc3ccccc3)n[nH]2)N1.
What is the InChIKey of (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NUPPWFDMFDFYAN-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14-11(16-15(22)18-14)7-9-13-17-12(19-20-13)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19,20)(H2,16,18,21,22)/t11-/m0/s1.
What are the key properties of (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95144362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).