7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole

C10H8BrF3N2O — CID 18316622

IUPAC7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Br)c2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H8BrF3N2O/c1-16-8-5(11)3-4-6(17-2)7(8)15-9(16)10(12,13)14/h3-4H,1-2H3
InChIKeyBZUWKCYTHHBEBJ-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.36
Rot. Bonds1

About 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole

7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 18316622) has the molecular formula C10H8BrF3N2O and a molecular weight of 309.09 g/mol. Its IUPAC name is 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID18316622
Molecular FormulaC10H8BrF3N2O
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Br)c2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H8BrF3N2O/c1-16-8-5(11)3-4-6(17-2)7(8)15-9(16)10(12,13)14/h3-4H,1-2H3
InChIKeyBZUWKCYTHHBEBJ-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole (CID 18316622) is 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole is COc1ccc(Br)c2c1nc(C(F)(F)F)n2C.
What is the InChIKey of 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is BZUWKCYTHHBEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O/c1-16-8-5(11)3-4-6(17-2)7(8)15-9(16)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole?
7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 309.09 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 18316622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).