3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

C14H9F3N2O2 — CID 56680021

IUPAC3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)8-5-6-12(20)11(7-8)19-10-4-2-1-3-9(10)18-13(19)21/h1-7,20H,(H,18,21)
InChIKeyXMGQVPLICUTKFM-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.04
Rot. Bonds1

About 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (PubChem CID 56680021) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
PubChem CID56680021
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)8-5-6-12(20)11(7-8)19-10-4-2-1-3-9(10)18-13(19)21/h1-7,20H,(H,18,21)
InChIKeyXMGQVPLICUTKFM-UHFFFAOYSA-N
XLogP3.04
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (CID 56680021) is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The InChIKey is XMGQVPLICUTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)8-5-6-12(20)11(7-8)19-10-4-2-1-3-9(10)18-13(19)21/h1-7,20H,(H,18,21).
What are the key properties of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one has a molecular weight of 294.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 56680021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).