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

C17H15F3N2O2 — CID 166446499

IUPAC5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)c(C)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-8-11(23-2)4-6-14(10)22-15-7-5-12(24-3)9-13(15)21-16(22)17(18,19)20/h4-9H,1-3H3
InChIKeyKZCMCFFGRYHUKB-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.37
Rot. Bonds3

About 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole

5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 166446499) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID166446499
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)c(C)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-8-11(23-2)4-6-14(10)22-15-7-5-12(24-3)9-13(15)21-16(22)17(18,19)20/h4-9H,1-3H3
InChIKeyKZCMCFFGRYHUKB-UHFFFAOYSA-N
XLogP4.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole (CID 166446499) is 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)c(C)c1.
What is the InChIKey of 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is KZCMCFFGRYHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-8-11(23-2)4-6-14(10)22-15-7-5-12(24-3)9-13(15)21-16(22)17(18,19)20/h4-9H,1-3H3.
What are the key properties of 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole?
5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 336.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 166446499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).