3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one

C17H14N4O — CID 162419791

IUPAC3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(-n2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-20-15-10-6-4-8-13(15)19-16(17(20)22)21-11-18-12-7-3-5-9-14(12)21/h3-11H,2H2,1H3
InChIKeyIBRJUHYQOCANFF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.76
Rot. Bonds2

About 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one

3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one (PubChem CID 162419791) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
PubChem CID162419791
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(-n2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-20-15-10-6-4-8-13(15)19-16(17(20)22)21-11-18-12-7-3-5-9-14(12)21/h3-11H,2H2,1H3
InChIKeyIBRJUHYQOCANFF-UHFFFAOYSA-N
XLogP2.76
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
1-(2-ethylphenyl)benzimidazole
CID 22078308
(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
CID 92735175
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
CID 162372194
1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one
CID 146143567
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one (CID 162419791) is 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one is CCn1c(=O)c(-n2cnc3ccccc32)nc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one?
The InChIKey is IBRJUHYQOCANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-20-15-10-6-4-8-13(15)19-16(17(20)22)21-11-18-12-7-3-5-9-14(12)21/h3-11H,2H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one?
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one is sourced from PubChem (CID 162419791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).