9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one

C15H17N3O2 — CID 175946662

IUPAC9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
SMILESCCON=C1C2=C(C(=O)c3ccccc31)N(C)CN2C
InChIInChI=1S/C15H17N3O2/c1-4-20-16-12-10-7-5-6-8-11(10)15(19)14-13(12)17(2)9-18(14)3/h5-8H,4,9H2,1-3H3
InChIKeyIYILNQAGQBJTMP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.67
Rot. Bonds2

About 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one

9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one (PubChem CID 175946662) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one.

Molecular Properties

Compound Name9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
PubChem CID175946662
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
SMILESCCON=C1C2=C(C(=O)c3ccccc31)N(C)CN2C
InChIInChI=1S/C15H17N3O2/c1-4-20-16-12-10-7-5-6-8-11(10)15(19)14-13(12)17(2)9-18(14)3/h5-8H,4,9H2,1-3H3
InChIKeyIYILNQAGQBJTMP-UHFFFAOYSA-N
XLogP1.67
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The IUPAC name of 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one (CID 175946662) is 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one.
What is the SMILES notation for 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The canonical SMILES for 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one is CCON=C1C2=C(C(=O)c3ccccc31)N(C)CN2C.
What is the InChIKey of 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The InChIKey is IYILNQAGQBJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-20-16-12-10-7-5-6-8-11(10)15(19)14-13(12)17(2)9-18(14)3/h5-8H,4,9H2,1-3H3.
What are the key properties of 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one is sourced from PubChem (CID 175946662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).