1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione

C24H23N3O3 — CID 166447403

IUPAC1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-22-14-12-21(13-15-22)16-25-23(28)26(17-19-8-4-2-5-9-19)27(24(25)29)18-20-10-6-3-7-11-20/h2-15H,16-18H2,1H3
InChIKeyQHLAGFUMIWVBRQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.96
Rot. Bonds7

About 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione

1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 166447403) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
PubChem CID166447403
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-22-14-12-21(13-15-22)16-25-23(28)26(17-19-8-4-2-5-9-19)27(24(25)29)18-20-10-6-3-7-11-20/h2-15H,16-18H2,1H3
InChIKeyQHLAGFUMIWVBRQ-UHFFFAOYSA-N
XLogP2.96
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
3-benzyl-7-[(4-methoxyphenyl)methyl]-1-prop-2-enylpurine-2,6-dione
CID 11235036
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39348633
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175025712
(5S,7R)-7-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 25023287
3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
CID 11610605
10-benzyl-3-methoxyacridin-9-one
CID 12751573
1-benzyl-7-chloro-3-[(4-methoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24783442

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione (CID 166447403) is 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione is COc1ccc(Cn2c(=O)n(Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is QHLAGFUMIWVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-22-14-12-21(13-15-22)16-25-23(28)26(17-19-8-4-2-5-9-19)27(24(25)29)18-20-10-6-3-7-11-20/h2-15H,16-18H2,1H3.
What are the key properties of 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 401.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 166447403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).