2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole

C15H11F3N2O — CID 14145040

IUPAC2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H11F3N2O/c1-21-11-5-2-9(3-6-11)14-19-12-7-4-10(15(16,17)18)8-13(12)20-14/h2-8H,1H3,(H,19,20)
InChIKeyPPQCRAZYFLVWOD-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.26
Rot. Bonds2

About 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 14145040) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID14145040
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H11F3N2O/c1-21-11-5-2-9(3-6-11)14-19-12-7-4-10(15(16,17)18)8-13(12)20-14/h2-8H,1H3,(H,19,20)
InChIKeyPPQCRAZYFLVWOD-UHFFFAOYSA-N
XLogP4.26
TPSA37.91 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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 14145040) is 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole is COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is PPQCRAZYFLVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-11-5-2-9(3-6-11)14-19-12-7-4-10(15(16,17)18)8-13(12)20-14/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 292.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 14145040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).