5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

C15H10F3N3O — CID 691377

IUPAC5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-4-2-1-3-9(11)8-19-10-5-6-12-13(7-10)21-14(22)20-12/h1-8H,(H2,20,21,22)/b19-8+
InChIKeyMDSGBEYMOJPUAZ-UFWORHAWSA-N
MW305.26 g/mol
LogP3.63
Rot. Bonds2

About 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 691377) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID691377
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-4-2-1-3-9(11)8-19-10-5-6-12-13(7-10)21-14(22)20-12/h1-8H,(H2,20,21,22)/b19-8+
InChIKeyMDSGBEYMOJPUAZ-UFWORHAWSA-N
XLogP3.63
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590528
5-{[(2-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 3162122
1-(2-Oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2374931
5-{[2-(trifluoromethyl)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 6472239
2(1H,3H)-Benzimidazolone, 5-(4-fluorobenzylideneamino)-
CID 620471
5-((1E)-2-phenyl-1-azavinyl)-3-hydrobenzimidazol-2-one
CID 961174
5-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-1,3-dihydro-2H-benzimidazol-2-one
CID 695838
5-[(2,3,4,5,6-Pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 2356826
6-anilino-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 21937826
1-[4-Methyl-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48759412
5-[2-(4-Trifluoromethyl-phenyl)-ethylamino]-1,3-dihydro-benzoimidazol-2-one
CID 57570243
5-[(4-Fluorophenyl)methyl-prop-2-enylamino]-1,3-dihydrobenzimidazol-2-one
CID 71558686

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 691377) is 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MDSGBEYMOJPUAZ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)11-4-2-1-3-9(11)8-19-10-5-6-12-13(7-10)21-14(22)20-12/h1-8H,(H2,20,21,22)/b19-8+.
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 305.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 691377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).