1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

C22H25N5O — CID 139421322

IUPAC1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCCN1C(=O)N/C(=N\c2cc(C)c(C)cc2C)N2C1=NCC2c1ccccc1
InChIInChI=1S/C22H25N5O/c1-5-26-21-23-13-19(17-9-7-6-8-10-17)27(21)20(25-22(26)28)24-18-12-15(3)14(2)11-16(18)4/h6-12,19H,5,13H2,1-4H3,(H,24,25,28)
InChIKeyDURPTYYCGPVFOA-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.06
Rot. Bonds3

About 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 139421322) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID139421322
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCCN1C(=O)N/C(=N\c2cc(C)c(C)cc2C)N2C1=NCC2c1ccccc1
InChIInChI=1S/C22H25N5O/c1-5-26-21-23-13-19(17-9-7-6-8-10-17)27(21)20(25-22(26)28)24-18-12-15(3)14(2)11-16(18)4/h6-12,19H,5,13H2,1-4H3,(H,24,25,28)
InChIKeyDURPTYYCGPVFOA-UHFFFAOYSA-N
XLogP4.06
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 139421322) is 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is CCN1C(=O)N/C(=N\c2cc(C)c(C)cc2C)N2C1=NCC2c1ccccc1.
What is the InChIKey of 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is DURPTYYCGPVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-5-26-21-23-13-19(17-9-7-6-8-10-17)27(21)20(25-22(26)28)24-18-12-15(3)14(2)11-16(18)4/h6-12,19H,5,13H2,1-4H3,(H,24,25,28).
What are the key properties of 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 375.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-phenyl-4-(2,4,5-trimethylphenyl)imino-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 139421322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).