3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one

C16H10N4O2 — CID 13425945

IUPAC3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H10N4O2/c21-14(15-18-10-6-2-3-7-11(10)19-15)13-16(22)20-12-8-4-1-5-9(12)17-13/h1-8H,(H,18,19)(H,20,22)
InChIKeyADYMYUHFZVONSM-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.03
Rot. Bonds2

About 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one

3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one (PubChem CID 13425945) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
PubChem CID13425945
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H10N4O2/c21-14(15-18-10-6-2-3-7-11(10)19-15)13-16(22)20-12-8-4-1-5-9(12)17-13/h1-8H,(H,18,19)(H,20,22)
InChIKeyADYMYUHFZVONSM-UHFFFAOYSA-N
XLogP2.03
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazol-2-yl-(2-bromophenyl)methanone
CID 13260204
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 157012168

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one (CID 13425945) is 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one is O=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one?
The InChIKey is ADYMYUHFZVONSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-14(15-18-10-6-2-3-7-11(10)19-15)13-16(22)20-12-8-4-1-5-9(12)17-13/h1-8H,(H,18,19)(H,20,22).
What are the key properties of 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one?
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one has a molecular weight of 290.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 13425945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).