2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole

C14H7Cl2F3N2O — CID 168555235

IUPAC2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1cc(-c2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-5-7(6-11(12(8)16)22-14(17,18)19)13-20-9-3-1-2-4-10(9)21-13/h1-6H,(H,20,21)
InChIKeyUVYTVTZJQSLITO-UHFFFAOYSA-N
MW347.12 g/mol
LogP5.44
Rot. Bonds2

About 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole

2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 168555235) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID168555235
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1cc(-c2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-5-7(6-11(12(8)16)22-14(17,18)19)13-20-9-3-1-2-4-10(9)21-13/h1-6H,(H,20,21)
InChIKeyUVYTVTZJQSLITO-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555419
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
[4-(1H-benzimidazol-2-yl)-2-chlorophenyl] 2,2-dimethylpropanoate
CID 10268363
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
CID 168554522
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole (CID 168555235) is 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole is FC(F)(F)Oc1cc(-c2nc3ccccc3[nH]2)cc(Cl)c1Cl.
What is the InChIKey of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is UVYTVTZJQSLITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-8-5-7(6-11(12(8)16)22-14(17,18)19)13-20-9-3-1-2-4-10(9)21-13/h1-6H,(H,20,21).
What are the key properties of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole?
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 347.12 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).