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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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44578830
2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide
CID 166828603
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
3-(2,2-dimethylpropyl)-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208309
3-[(3-fluorophenyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769095
N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11667996
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076
3-prop-2-enyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 110491254
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534

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).