6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one

C12H10N4O — CID 167066942

IUPAC6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
SMILESCc1ncc(-c2ccc3[nH]c(=O)cnc3c2)[nH]1
InChIInChI=1S/C12H10N4O/c1-7-13-5-11(15-7)8-2-3-9-10(4-8)14-6-12(17)16-9/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyHIWBQJQGXJTRLG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.62
Rot. Bonds1

About 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one

6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one (PubChem CID 167066942) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
PubChem CID167066942
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
SMILESCc1ncc(-c2ccc3[nH]c(=O)cnc3c2)[nH]1
InChIInChI=1S/C12H10N4O/c1-7-13-5-11(15-7)8-2-3-9-10(4-8)14-6-12(17)16-9/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyHIWBQJQGXJTRLG-UHFFFAOYSA-N
XLogP1.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
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6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
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5-(3-bromo-4-methylphenyl)-2-methyl-1H-imidazole
CID 58170463
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3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
4-(2-methyl-1H-imidazol-5-yl)-2-methylsulfonylaniline
CID 166047876
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
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7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline
CID 90181938

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one (CID 167066942) is 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one is Cc1ncc(-c2ccc3[nH]c(=O)cnc3c2)[nH]1.
What is the InChIKey of 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one?
The InChIKey is HIWBQJQGXJTRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-13-5-11(15-7)8-2-3-9-10(4-8)14-6-12(17)16-9/h2-6H,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one?
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 167066942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).