5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one

C20H18N4O4 — CID 5300216

IUPAC5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one
SMILESCOc1ccc(C(=O)Cn2c3ccccc3n3nc(C)c(=O)nc23)cc1OC
InChIInChI=1S/C20H18N4O4/c1-12-19(26)21-20-23(14-6-4-5-7-15(14)24(20)22-12)11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10H,11H2,1-3H3
InChIKeyRFJOIQGJLMNJIB-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.25
Rot. Bonds5

About 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one

5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one (PubChem CID 5300216) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one
PubChem CID5300216
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one
SMILESCOc1ccc(C(=O)Cn2c3ccccc3n3nc(C)c(=O)nc23)cc1OC
InChIInChI=1S/C20H18N4O4/c1-12-19(26)21-20-23(14-6-4-5-7-15(14)24(20)22-12)11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10H,11H2,1-3H3
InChIKeyRFJOIQGJLMNJIB-UHFFFAOYSA-N
XLogP2.25
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one with MolForge

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Related Compounds

5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one
CID 1492952
2-methyl-5-(2-oxo-2-thiophen-2-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-3-one
CID 777752
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CID 829976
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
1-(3,4-dimethoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16582127
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
1-[2-(3-but-2-ynoxy-4-methoxyphenyl)-2-oxoethyl]-2,6-dimethylpyridin-4-one
CID 153052471

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one (CID 5300216) is 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one is COc1ccc(C(=O)Cn2c3ccccc3n3nc(C)c(=O)nc23)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one?
The InChIKey is RFJOIQGJLMNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12-19(26)21-20-23(14-6-4-5-7-15(14)24(20)22-12)11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10H,11H2,1-3H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one?
5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one has a molecular weight of 378.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one is sourced from PubChem (CID 5300216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).