3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one

C15H11F3N2O — CID 2545714

IUPAC3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-13-12(8-11)19-14(21)20(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21)
InChIKeyKJGSMBYKAQHDEJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.40
Rot. Bonds2

About 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 2545714) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID2545714
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-13-12(8-11)19-14(21)20(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21)
InChIKeyKJGSMBYKAQHDEJ-UHFFFAOYSA-N
XLogP3.40
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-2-enyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 110491254
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117208282
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
3-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44578830
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-(piperidin-4-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207111
3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
CID 134084598
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one
CID 71214482
3-(2,2-dimethylpropyl)-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208309

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 2545714) is 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is KJGSMBYKAQHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-13-12(8-11)19-14(21)20(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21).
What are the key properties of 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 2545714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).