5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole

C14H7Cl2F3N2O — CID 141252314

IUPAC5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]cnc2cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2F3N2O/c15-9-2-1-7(3-10(9)16)22-13-5-12-11(20-6-21-12)4-8(13)14(17,18)19/h1-6H,(H,20,21)
InChIKeyHIKDBVHVDPQNNN-UHFFFAOYSA-N
MW347.12 g/mol
LogP5.68
Rot. Bonds2

About 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole

5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 141252314) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID141252314
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]cnc2cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2F3N2O/c15-9-2-1-7(3-10(9)16)22-13-5-12-11(20-6-21-12)4-8(13)14(17,18)19/h1-6H,(H,20,21)
InChIKeyHIKDBVHVDPQNNN-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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Related Compounds

6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 154140309
5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole
CID 175904809
N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515847
4-(3H-benzimidazol-5-yloxy)aniline
CID 18375963
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
CID 141252380
6-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326184
4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
CID 117061351
4-(trifluoromethoxy)benzene-1,2-diamine;6-(trifluoromethoxy)-1H-benzimidazole
CID 159077762
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole (CID 141252314) is 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cc2[nH]cnc2cc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is HIKDBVHVDPQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-9-2-1-7(3-10(9)16)22-13-5-12-11(20-6-21-12)4-8(13)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole?
5-(3,4-dichlorophenoxy)-6-(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 5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 141252314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).