6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one

C18H15N5O2 — CID 110743859

IUPAC6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one
SMILESCc1nc2ccc(C(=O)n3c(=O)[nH]c4cc(N)ccc43)cc2nc1C
InChIInChI=1S/C18H15N5O2/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(24)23-16-6-4-12(19)8-15(16)22-18(23)25/h3-8H,19H2,1-2H3,(H,22,25)
InChIKeyFYUBRPGDUXPISK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.16
Rot. Bonds1

About 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one

6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one (PubChem CID 110743859) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one
PubChem CID110743859
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one
SMILESCc1nc2ccc(C(=O)n3c(=O)[nH]c4cc(N)ccc43)cc2nc1C
InChIInChI=1S/C18H15N5O2/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(24)23-16-6-4-12(19)8-15(16)22-18(23)25/h3-8H,19H2,1-2H3,(H,22,25)
InChIKeyFYUBRPGDUXPISK-UHFFFAOYSA-N
XLogP2.16
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-(4-tert-butylbenzoyl)-1H-benzimidazol-2-one
CID 110723951
6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one
CID 110662069
5-amino-3-(3H-benzimidazole-5-carbonyl)-1-methylbenzimidazol-2-one
CID 110743513
6-amino-3-(cyclopropanecarbonyl)-1H-benzimidazol-2-one
CID 110723889
5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
CID 110867224
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 110867639
5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110748262
6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one
CID 110723961

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one (CID 110743859) is 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one is Cc1nc2ccc(C(=O)n3c(=O)[nH]c4cc(N)ccc43)cc2nc1C.
What is the InChIKey of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is FYUBRPGDUXPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(24)23-16-6-4-12(19)8-15(16)22-18(23)25/h3-8H,19H2,1-2H3,(H,22,25).
What are the key properties of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one?
6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 333.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110743859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).