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

C15H11F3N2O — CID 117209238

IUPAC4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C15H11F3N2O/c1-9-3-2-4-12-13(9)20(14(21)19-12)11-7-5-10(6-8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeyYOGIWWQYVRICLY-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.65
Rot. Bonds1

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

4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (PubChem CID 117209238) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
PubChem CID117209238
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C15H11F3N2O/c1-9-3-2-4-12-13(9)20(14(21)19-12)11-7-5-10(6-8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeyYOGIWWQYVRICLY-UHFFFAOYSA-N
XLogP3.65
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (CID 117209238) is 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The InChIKey is YOGIWWQYVRICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-9-3-2-4-12-13(9)20(14(21)19-12)11-7-5-10(6-8-11)15(16,17)18/h2-8H,1H3,(H,19,21).
What are the key properties of 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117209238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).