6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole

C15H11F3N2O — CID 11779077

IUPAC6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccccc3)c2c1
InChIInChI=1S/C15H11F3N2O/c1-21-11-7-8-12-13(9-11)20(10-5-3-2-4-6-10)14(19-12)15(16,17)18/h2-9H,1H3
InChIKeyHKNNPPWZWPQHFN-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.05
Rot. Bonds2

About 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole

6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole (PubChem CID 11779077) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole
PubChem CID11779077
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccccc3)c2c1
InChIInChI=1S/C15H11F3N2O/c1-21-11-7-8-12-13(9-11)20(10-5-3-2-4-6-10)14(19-12)15(16,17)18/h2-9H,1H3
InChIKeyHKNNPPWZWPQHFN-UHFFFAOYSA-N
XLogP4.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole (CID 11779077) is 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole is COc1ccc2nc(C(F)(F)F)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is HKNNPPWZWPQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-11-7-8-12-13(9-11)20(10-5-3-2-4-6-10)14(19-12)15(16,17)18/h2-9H,1H3.
What are the key properties of 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole?
6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 292.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 11779077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).