1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C19H19N5O3 — CID 11057614

IUPAC1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc2nn(-c3cccc(CN4C(=O)NC(=O)C4(C)C)c3O)nc2c1
InChIInChI=1S/C19H19N5O3/c1-11-7-8-13-14(9-11)22-24(21-13)15-6-4-5-12(16(15)25)10-23-18(27)20-17(26)19(23,2)3/h4-9,25H,10H2,1-3H3,(H,20,26,27)
InChIKeyLBOJSKWOSSFSLI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.26
Rot. Bonds3

About 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 11057614) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID11057614
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc2nn(-c3cccc(CN4C(=O)NC(=O)C4(C)C)c3O)nc2c1
InChIInChI=1S/C19H19N5O3/c1-11-7-8-13-14(9-11)22-24(21-13)15-6-4-5-12(16(15)25)10-23-18(27)20-17(26)19(23,2)3/h4-9,25H,10H2,1-3H3,(H,20,26,27)
InChIKeyLBOJSKWOSSFSLI-UHFFFAOYSA-N
XLogP2.26
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 11057614) is 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1ccc2nn(-c3cccc(CN4C(=O)NC(=O)C4(C)C)c3O)nc2c1.
What is the InChIKey of 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LBOJSKWOSSFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-7-8-13-14(9-11)22-24(21-13)15-6-4-5-12(16(15)25)10-23-18(27)20-17(26)19(23,2)3/h4-9,25H,10H2,1-3H3,(H,20,26,27).
What are the key properties of 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 11057614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).