3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C14H9F3N2O3 — CID 16727213

IUPAC3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc(O)cc1O
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)7-1-3-10-9(5-7)18-13(22)19(10)11-4-2-8(20)6-12(11)21/h1-6,20-21H,(H,18,22)
InChIKeyWJIZLIGWLXBSLO-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.75
Rot. Bonds1

About 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 16727213) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID16727213
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc(O)cc1O
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)7-1-3-10-9(5-7)18-13(22)19(10)11-4-2-8(20)6-12(11)21/h1-6,20-21H,(H,18,22)
InChIKeyWJIZLIGWLXBSLO-UHFFFAOYSA-N
XLogP2.75
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 16727213) is 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is WJIZLIGWLXBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)7-1-3-10-9(5-7)18-13(22)19(10)11-4-2-8(20)6-12(11)21/h1-6,20-21H,(H,18,22).
What are the key properties of 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 310.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 16727213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).