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

C15H12F3N3O — CID 6472239

IUPAC5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N3O/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/h1-7,19H,8H2,(H2,20,21,22)
InChIKeyDNJFGLDIFRGNFJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.49
Rot. Bonds3

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

5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 6472239) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID6472239
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N3O/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/h1-7,19H,8H2,(H2,20,21,22)
InChIKeyDNJFGLDIFRGNFJ-UHFFFAOYSA-N
XLogP3.49
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one (CID 6472239) is 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NCc3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DNJFGLDIFRGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/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/h1-7,19H,8H2,(H2,20,21,22).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 307.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 6472239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).