5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

C20H19N5O2 — CID 72884539

IUPAC5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2nc(-c3ccccc3)nn2CCc2ccccc2)N1
InChIInChI=1S/C20H19N5O2/c26-19-16(21-20(27)23-19)13-17-22-18(15-9-5-2-6-10-15)24-25(17)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,21,23,26,27)
InChIKeyCKSAIBZZHMOERY-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.94
Rot. Bonds6

About 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 72884539) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID72884539
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2nc(-c3ccccc3)nn2CCc2ccccc2)N1
InChIInChI=1S/C20H19N5O2/c26-19-16(21-20(27)23-19)13-17-22-18(15-9-5-2-6-10-15)24-25(17)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,21,23,26,27)
InChIKeyCKSAIBZZHMOERY-UHFFFAOYSA-N
XLogP1.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione
CID 95047521
(5R)-5-[[2-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 163310817
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 99974084
(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 97202109
5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 131906363
(5R)-5-[[2-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 157015137
(5S)-5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95137573
(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
CID 95144362
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 99937211
5-phenacylimidazolidine-2,4-dione
CID 15716927

Frequently Asked Questions

What is the IUPAC name of 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (CID 72884539) is 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2nc(-c3ccccc3)nn2CCc2ccccc2)N1.
What is the InChIKey of 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is CKSAIBZZHMOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19-16(21-20(27)23-19)13-17-22-18(15-9-5-2-6-10-15)24-25(17)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,21,23,26,27).
What are the key properties of 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72884539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).