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

C16H13F3N2O — CID 66972481

IUPAC1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2cnc3c(C(F)(F)F)cccc32)c(C)c1
InChIInChI=1S/C16H13F3N2O/c1-10-8-11(22-2)6-7-13(10)21-9-20-15-12(16(17,18)19)4-3-5-14(15)21/h3-9H,1-2H3
InChIKeyGQLROAPDTXVVGD-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.36
Rot. Bonds2

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

1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole (PubChem CID 66972481) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole
PubChem CID66972481
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2cnc3c(C(F)(F)F)cccc32)c(C)c1
InChIInChI=1S/C16H13F3N2O/c1-10-8-11(22-2)6-7-13(10)21-9-20-15-12(16(17,18)19)4-3-5-14(15)21/h3-9H,1-2H3
InChIKeyGQLROAPDTXVVGD-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 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole (CID 66972481) is 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole is COc1ccc(-n2cnc3c(C(F)(F)F)cccc32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole?
The InChIKey is GQLROAPDTXVVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-10-8-11(22-2)6-7-13(10)21-9-20-15-12(16(17,18)19)4-3-5-14(15)21/h3-9H,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole?
1-(4-methoxy-2-methylphenyl)-4-(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 1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 66972481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).