6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one

C17H12Cl2N4O — CID 162410075

IUPAC6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCc1cc2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]c3=O)[nH]c2cc1C
InChIInChI=1S/C17H12Cl2N4O/c1-7-3-11-12(4-8(7)2)22-16(21-11)15-17(24)23-14-6-10(19)9(18)5-13(14)20-15/h3-6H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBCVXDUXBSUORSS-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.39
Rot. Bonds1

About 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one

6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one (PubChem CID 162410075) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
PubChem CID162410075
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCc1cc2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]c3=O)[nH]c2cc1C
InChIInChI=1S/C17H12Cl2N4O/c1-7-3-11-12(4-8(7)2)22-16(21-11)15-17(24)23-14-6-10(19)9(18)5-13(14)20-15/h3-6H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBCVXDUXBSUORSS-UHFFFAOYSA-N
XLogP4.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82880012
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CID 135804648
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole
CID 82004288
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
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5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
CID 11680094
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
CID 82004279
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one (CID 162410075) is 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one is Cc1cc2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]c3=O)[nH]c2cc1C.
What is the InChIKey of 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one?
The InChIKey is BCVXDUXBSUORSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c1-7-3-11-12(4-8(7)2)22-16(21-11)15-17(24)23-14-6-10(19)9(18)5-13(14)20-15/h3-6H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one?
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one has a molecular weight of 359.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 162410075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).