6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole

C16H13F3N2O — CID 10086461

IUPAC6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C16H13F3N2O/c1-10-3-5-11(6-4-10)21-14-9-12(22-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyVISBOVCXSQYMDC-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.36
Rot. Bonds2

About 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole

6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 10086461) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID10086461
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C16H13F3N2O/c1-10-3-5-11(6-4-10)21-14-9-12(22-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyVISBOVCXSQYMDC-UHFFFAOYSA-N
XLogP4.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole (CID 10086461) is 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole is COc1ccc2nc(C(F)(F)F)n(-c3ccc(C)cc3)c2c1.
What is the InChIKey of 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is VISBOVCXSQYMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-10-3-5-11(6-4-10)21-14-9-12(22-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole?
6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 306.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10086461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).