2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one

C19H14FN3O — CID 142354719

IUPAC2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3F)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C19H14FN3O/c1-23(2)19-21-16-11-7-3-4-8-12(11)18(24)15(17(16)22-19)13-9-5-6-10-14(13)20/h3-10H,1-2H3
InChIKeyJOLLFYBOTDHTNT-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.15
Rot. Bonds1

About 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one

2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one (PubChem CID 142354719) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one
PubChem CID142354719
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3F)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C19H14FN3O/c1-23(2)19-21-16-11-7-3-4-8-12(11)18(24)15(17(16)22-19)13-9-5-6-10-14(13)20/h3-10H,1-2H3
InChIKeyJOLLFYBOTDHTNT-UHFFFAOYSA-N
XLogP3.15
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one (CID 142354719) is 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one is CN(C)C1=NC2=C(c3ccccc3F)C(=O)c3ccccc3C2=N1.
What is the InChIKey of 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one?
The InChIKey is JOLLFYBOTDHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-23(2)19-21-16-11-7-3-4-8-12(11)18(24)15(17(16)22-19)13-9-5-6-10-14(13)20/h3-10H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one has a molecular weight of 319.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(2-fluorophenyl)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 142354719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).