6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole

C15H6Cl2F6N2O — CID 154140309

IUPAC6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H6Cl2F6N2O/c16-8-2-1-6(3-7(8)14(18,19)20)26-12-5-11-10(4-9(12)17)24-13(25-11)15(21,22)23/h1-5H,(H,24,25)
InChIKeyURGOXXRCUQORSC-UHFFFAOYSA-N
MW415.12 g/mol
LogP6.70
Rot. Bonds2

About 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole

6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 154140309) has the molecular formula C15H6Cl2F6N2O and a molecular weight of 415.12 g/mol. Its IUPAC name is 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID154140309
Molecular FormulaC15H6Cl2F6N2O
Molecular Weight415.12 g/mol
Exact Mass413.98
IUPAC Name6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H6Cl2F6N2O/c16-8-2-1-6(3-7(8)14(18,19)20)26-12-5-11-10(4-9(12)17)24-13(25-11)15(21,22)23/h1-5H,(H,24,25)
InChIKeyURGOXXRCUQORSC-UHFFFAOYSA-N
XLogP6.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.12
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
CID 154116934
5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
CID 141252314
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
2-(2-azidopropan-2-yl)-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 141052591
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536
5-[2,4-bis(trifluoromethyl)phenyl]-6-chloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 86699574
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
CID 117061351

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole (CID 154140309) is 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is URGOXXRCUQORSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F6N2O/c16-8-2-1-6(3-7(8)14(18,19)20)26-12-5-11-10(4-9(12)17)24-13(25-11)15(21,22)23/h1-5H,(H,24,25).
What are the key properties of 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 415.12 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 154140309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).