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

C15H10F4N2O — CID 117209050

IUPAC4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F4N2O/c16-11-6-3-7-12-13(11)21(14(22)20-12)8-9-4-1-2-5-10(9)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyNJSSHEYBNOKPMB-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.54
Rot. Bonds2

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

4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 117209050) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID117209050
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F4N2O/c16-11-6-3-7-12-13(11)21(14(22)20-12)8-9-4-1-2-5-10(9)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyNJSSHEYBNOKPMB-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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Related Compounds

3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
3-(2,2-dimethylpropyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209111
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 115947931
5-sulfanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazolidin-3-one
CID 62881173
3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208518
3-(2-hydroxyphenyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209194
1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 57080745
3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209046
3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one (CID 117209050) is 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2cccc(F)c2n1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is NJSSHEYBNOKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c16-11-6-3-7-12-13(11)21(14(22)20-12)8-9-4-1-2-5-10(9)15(17,18)19/h1-7H,8H2,(H,20,22).
What are the key properties of 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one?
4-fluoro-3-[[2-(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 4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117209050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).