2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

C26H20N4O2 — CID 135399557

IUPAC2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1ccc(C(=O)Cc2nn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C26H20N4O2/c1-17-12-14-18(15-13-17)22(31)16-21-25(32)28-26-27-23(19-8-4-2-5-9-19)24(30(26)29-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,27,28,32)
InChIKeyAYZYIXANXUEZHA-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.49
Rot. Bonds5

About 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (PubChem CID 135399557) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
PubChem CID135399557
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1ccc(C(=O)Cc2nn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C26H20N4O2/c1-17-12-14-18(15-13-17)22(31)16-21-25(32)28-26-27-23(19-8-4-2-5-9-19)24(30(26)29-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,27,28,32)
InChIKeyAYZYIXANXUEZHA-UHFFFAOYSA-N
XLogP4.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one with MolForge

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Related Compounds

7-Ethyl-6-methyl-2,3-diphenyl-7H,9H-imidazo[1,2-b][1,2,4]triazepin-8-one
CID 3546295
2-Methyl-6,7-diphenylimidazo[1,2-b][1,2,4]triazin-3-ol
CID 135426534
N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
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N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)benzamide
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N-(5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pentyl-benzamide
CID 155925556
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-fluorobenzamide
CID 122216622
N-[4-benzyl-1-methyl-5-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide
CID 126765688
N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide
CID 126765692
N-(5-benzyl-4-phenyl-1H-imidazol-2-yl)-2-fluorobenzamide
CID 129026342
N-[5-benzyl-1-methyl-4-(4-methylphenyl)imidazol-2-yl]-2-fluorobenzamide
CID 147087146
{4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl}(phenyl)methanone
CID 2259189
N-(4,5-dibenzyl-1-methylimidazol-2-yl)benzamide
CID 60157528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The IUPAC name of 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (CID 135399557) is 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.
What is the SMILES notation for 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The canonical SMILES for 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is Cc1ccc(C(=O)Cc2nn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]c2=O)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The InChIKey is AYZYIXANXUEZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-17-12-14-18(15-13-17)22(31)16-21-25(32)28-26-27-23(19-8-4-2-5-9-19)24(30(26)29-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,27,28,32).
What are the key properties of 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one has a molecular weight of 420.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is sourced from PubChem (CID 135399557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).