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

C15H11F3N2O — CID 162617795

IUPAC1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C15H11F3N2O/c1-19-12-4-2-3-5-13(12)20(14(19)21)11-8-6-10(7-9-11)15(16,17)18/h2-9H,1H3
InChIKeyZTAXDWBQSMPTRA-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.35
Rot. Bonds1

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

1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one (PubChem CID 162617795) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one
PubChem CID162617795
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C15H11F3N2O/c1-19-12-4-2-3-5-13(12)20(14(19)21)11-8-6-10(7-9-11)15(16,17)18/h2-9H,1H3
InChIKeyZTAXDWBQSMPTRA-UHFFFAOYSA-N
XLogP3.35
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one (CID 162617795) is 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one is Cn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one?
The InChIKey is ZTAXDWBQSMPTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-19-12-4-2-3-5-13(12)20(14(19)21)11-8-6-10(7-9-11)15(16,17)18/h2-9H,1H3.
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one?
1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one is sourced from PubChem (CID 162617795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).