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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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).