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

C20H14F3N3O — CID 134524131

IUPAC2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3C(F)(F)F)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C20H14F3N3O/c1-26(2)19-24-16-11-7-3-4-8-12(11)18(27)15(17(16)25-19)13-9-5-6-10-14(13)20(21,22)23/h3-10H,1-2H3
InChIKeyNLIMKLXBRWLMMH-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.03
Rot. Bonds1

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

2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one (PubChem CID 134524131) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one
PubChem CID134524131
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3C(F)(F)F)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C20H14F3N3O/c1-26(2)19-24-16-11-7-3-4-8-12(11)18(27)15(17(16)25-19)13-9-5-6-10-14(13)20(21,22)23/h3-10H,1-2H3
InChIKeyNLIMKLXBRWLMMH-UHFFFAOYSA-N
XLogP4.03
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.03
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-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one (CID 134524131) is 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one is CN(C)C1=NC2=C(c3ccccc3C(F)(F)F)C(=O)c3ccccc3C2=N1.
What is the InChIKey of 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one?
The InChIKey is NLIMKLXBRWLMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-26(2)19-24-16-11-7-3-4-8-12(11)18(27)15(17(16)25-19)13-9-5-6-10-14(13)20(21,22)23/h3-10H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-[2-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one has a molecular weight of 369.35 g/mol, XLogP of 4.03, 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-(trifluoromethyl)phenyl]benzo[e]benzimidazol-5-one is sourced from PubChem (CID 134524131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).