1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione

C23H21N3O2 — CID 166447405

IUPAC1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCc1ccccc1-n1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O2/c1-18-10-8-9-15-21(18)26-22(27)24(16-19-11-4-2-5-12-19)25(23(26)28)17-20-13-6-3-7-14-20/h2-15H,16-17H2,1H3
InChIKeyCKSDGXVPRIGGBV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.21
Rot. Bonds5

About 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione

1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 166447405) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID166447405
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCc1ccccc1-n1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O2/c1-18-10-8-9-15-21(18)26-22(27)24(16-19-11-4-2-5-12-19)25(23(26)28)17-20-13-6-3-7-14-20/h2-15H,16-17H2,1H3
InChIKeyCKSDGXVPRIGGBV-UHFFFAOYSA-N
XLogP3.21
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione (CID 166447405) is 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione is Cc1ccccc1-n1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is CKSDGXVPRIGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-18-10-8-9-15-21(18)26-22(27)24(16-19-11-4-2-5-12-19)25(23(26)28)17-20-13-6-3-7-14-20/h2-15H,16-17H2,1H3.
What are the key properties of 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione?
1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 371.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-4-(2-methylphenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 166447405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).