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

C14H7Cl2F3N2O — CID 46838417

IUPAC6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Oc3cccc(Cl)c3Cl)cc2[nH]1
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-2-1-3-11(12(8)16)22-7-4-5-9-10(6-7)21-13(20-9)14(17,18)19/h1-6H,(H,20,21)
InChIKeyGATAAHLEBYZPOW-UHFFFAOYSA-N
MW347.12 g/mol
LogP5.68
Rot. Bonds2

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

6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 46838417) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID46838417
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Oc3cccc(Cl)c3Cl)cc2[nH]1
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-2-1-3-11(12(8)16)22-7-4-5-9-10(6-7)21-13(20-9)14(17,18)19/h1-6H,(H,20,21)
InChIKeyGATAAHLEBYZPOW-UHFFFAOYSA-N
XLogP5.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.12
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole (CID 46838417) is 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2ccc(Oc3cccc(Cl)c3Cl)cc2[nH]1.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is GATAAHLEBYZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-8-2-1-3-11(12(8)16)22-7-4-5-9-10(6-7)21-13(20-9)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 347.12 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 46838417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).