3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

C15H11F3N2O2 — CID 117209076

IUPAC3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(C(F)(F)F)c2n1Cc1ccc(O)cc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-2-1-3-12-13(11)20(14(22)19-12)8-9-4-6-10(21)7-5-9/h1-7,21H,8H2,(H,19,22)
InChIKeyTVUUTLWOSLPISZ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.10
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117209076) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117209076
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(C(F)(F)F)c2n1Cc1ccc(O)cc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-2-1-3-12-13(11)20(14(22)19-12)8-9-4-6-10(21)7-5-9/h1-7,21H,8H2,(H,19,22)
InChIKeyTVUUTLWOSLPISZ-UHFFFAOYSA-N
XLogP3.10
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209111
3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208518
4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117209050
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
3-(2-hydroxyphenyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209194
3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817
6-bromo-4-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 22327356
3-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208607
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
3-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208899
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 107409902

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117209076) is 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cccc(C(F)(F)F)c2n1Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is TVUUTLWOSLPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)11-2-1-3-12-13(11)20(14(22)19-12)8-9-4-6-10(21)7-5-9/h1-7,21H,8H2,(H,19,22).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 308.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117209076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).