5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one

C15H10F4N2O — CID 117208282

IUPAC5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4N2O/c16-11-5-6-12-13(7-11)21(14(22)20-12)8-9-1-3-10(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyLTLPHAXMSWSJQK-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.54
Rot. Bonds2

About 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one

5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 117208282) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID117208282
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4N2O/c16-11-5-6-12-13(7-11)21(14(22)20-12)8-9-1-3-10(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyLTLPHAXMSWSJQK-UHFFFAOYSA-N
XLogP3.54
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one (CID 117208282) is 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)cc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is LTLPHAXMSWSJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c16-11-5-6-12-13(7-11)21(14(22)20-12)8-9-1-3-10(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,22).
What are the key properties of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 310.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).