8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

C18H16N4O3 — CID 11013115

IUPAC8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCOc1ccc(N2CCn3c2nc(=O)n(-c2ccccc2)c3=O)cc1
InChIInChI=1S/C18H16N4O3/c1-25-15-9-7-13(8-10-15)20-11-12-21-16(20)19-17(23)22(18(21)24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyOUZXCKABLDUXHQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.55
Rot. Bonds3

About 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 11013115) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID11013115
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCOc1ccc(N2CCn3c2nc(=O)n(-c2ccccc2)c3=O)cc1
InChIInChI=1S/C18H16N4O3/c1-25-15-9-7-13(8-10-15)20-11-12-21-16(20)19-17(23)22(18(21)24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyOUZXCKABLDUXHQ-UHFFFAOYSA-N
XLogP1.55
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 11013115) is 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is COc1ccc(N2CCn3c2nc(=O)n(-c2ccccc2)c3=O)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is OUZXCKABLDUXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-15-9-7-13(8-10-15)20-11-12-21-16(20)19-17(23)22(18(21)24)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 336.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 11013115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).