4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole

C14H6Cl3F3N2O — CID 154335639

IUPAC4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Cl)cc(Cl)c(Oc3cccc(Cl)c3)c2[nH]1
InChIInChI=1S/C14H6Cl3F3N2O/c15-6-2-1-3-7(4-6)23-12-9(17)5-8(16)10-11(12)22-13(21-10)14(18,19)20/h1-5H,(H,21,22)
InChIKeyBFMGMPVTOIBASQ-UHFFFAOYSA-N
MW381.57 g/mol
LogP6.33
Rot. Bonds2

About 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole

4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 154335639) has the molecular formula C14H6Cl3F3N2O and a molecular weight of 381.57 g/mol. Its IUPAC name is 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID154335639
Molecular FormulaC14H6Cl3F3N2O
Molecular Weight381.57 g/mol
Exact Mass379.95
IUPAC Name4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Cl)cc(Cl)c(Oc3cccc(Cl)c3)c2[nH]1
InChIInChI=1S/C14H6Cl3F3N2O/c15-6-2-1-3-7(4-6)23-12-9(17)5-8(16)10-11(12)22-13(21-10)14(18,19)20/h1-5H,(H,21,22)
InChIKeyBFMGMPVTOIBASQ-UHFFFAOYSA-N
XLogP6.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869812
[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
3,6-dichloro-5-(3-chlorophenoxy)-1,2,4-triazine
CID 81037722
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole (CID 154335639) is 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2c(Cl)cc(Cl)c(Oc3cccc(Cl)c3)c2[nH]1.
What is the InChIKey of 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is BFMGMPVTOIBASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F3N2O/c15-6-2-1-3-7(4-6)23-12-9(17)5-8(16)10-11(12)22-13(21-10)14(18,19)20/h1-5H,(H,21,22).
What are the key properties of 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole?
4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 381.57 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-(3-chlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 154335639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).