5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole

C15H9Cl2F3N2OS — CID 2814061

IUPAC5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H9Cl2F3N2OS/c16-10-5-12-13(6-11(10)17)22-14(21-12)24-7-8-1-3-9(4-2-8)23-15(18,19)20/h1-6H,7H2,(H,21,22)
InChIKeyQOKYPRZCZKHCPY-UHFFFAOYSA-N
MW393.22 g/mol
LogP6.06
Rot. Bonds4

About 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole

5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole (PubChem CID 2814061) has the molecular formula C15H9Cl2F3N2OS and a molecular weight of 393.22 g/mol. Its IUPAC name is 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole
PubChem CID2814061
Molecular FormulaC15H9Cl2F3N2OS
Molecular Weight393.22 g/mol
Exact Mass391.98
IUPAC Name5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H9Cl2F3N2OS/c16-10-5-12-13(6-11(10)17)22-14(21-12)24-7-8-1-3-9(4-2-8)23-15(18,19)20/h1-6H,7H2,(H,21,22)
InChIKeyQOKYPRZCZKHCPY-UHFFFAOYSA-N
XLogP6.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.22
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole (CID 2814061) is 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole is FC(F)(F)Oc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole?
The InChIKey is QOKYPRZCZKHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2OS/c16-10-5-12-13(6-11(10)17)22-14(21-12)24-7-8-1-3-9(4-2-8)23-15(18,19)20/h1-6H,7H2,(H,21,22).
What are the key properties of 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole?
5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole has a molecular weight of 393.22 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 2814061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).