6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole

C15H9Cl2F3N2O — CID 46838553

IUPAC6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccc(Oc3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C15H9Cl2F3N2O/c1-22-11-7-8(23-12-4-2-3-9(16)13(12)17)5-6-10(11)21-14(22)15(18,19)20/h2-7H,1H3
InChIKeyKXHZVFGSDNOWES-UHFFFAOYSA-N
MW361.15 g/mol
LogP5.69
Rot. Bonds2

About 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole

6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 46838553) has the molecular formula C15H9Cl2F3N2O and a molecular weight of 361.15 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID46838553
Molecular FormulaC15H9Cl2F3N2O
Molecular Weight361.15 g/mol
Exact Mass360.00
IUPAC Name6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2ccc(Oc3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C15H9Cl2F3N2O/c1-22-11-7-8(23-12-4-2-3-9(16)13(12)17)5-6-10(11)21-14(22)15(18,19)20/h2-7H,1H3
InChIKeyKXHZVFGSDNOWES-UHFFFAOYSA-N
XLogP5.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.15
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole (CID 46838553) is 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2ccc(Oc3cccc(Cl)c3Cl)cc21.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is KXHZVFGSDNOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O/c1-22-11-7-8(23-12-4-2-3-9(16)13(12)17)5-6-10(11)21-14(22)15(18,19)20/h2-7H,1H3.
What are the key properties of 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole?
6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 361.15 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46838553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).