6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole

C12H6ClF3N4S — CID 133416039

IUPAC6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole
SMILESFC(F)(F)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nn1
InChIInChI=1S/C12H6ClF3N4S/c13-6-1-2-7-8(5-6)18-11(17-7)21-10-4-3-9(19-20-10)12(14,15)16/h1-5H,(H,17,18)
InChIKeyTZQXENGLJQYRIJ-UHFFFAOYSA-N
MW330.72 g/mol
LogP4.18
Rot. Bonds2

About 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole

6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole (PubChem CID 133416039) has the molecular formula C12H6ClF3N4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole
PubChem CID133416039
Molecular FormulaC12H6ClF3N4S
Molecular Weight330.72 g/mol
Exact Mass330.00
IUPAC Name6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole
SMILESFC(F)(F)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nn1
InChIInChI=1S/C12H6ClF3N4S/c13-6-1-2-7-8(5-6)18-11(17-7)21-10-4-3-9(19-20-10)12(14,15)16/h1-5H,(H,17,18)
InChIKeyTZQXENGLJQYRIJ-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-benzimidazole
CID 114562998
2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 61371231
6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
CID 141163646
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
CID 130632057
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 78844133
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7225818
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one
CID 10150039

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole (CID 133416039) is 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole is FC(F)(F)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nn1.
What is the InChIKey of 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole?
The InChIKey is TZQXENGLJQYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4S/c13-6-1-2-7-8(5-6)18-11(17-7)21-10-4-3-9(19-20-10)12(14,15)16/h1-5H,(H,17,18).
What are the key properties of 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole?
6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole has a molecular weight of 330.72 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole is sourced from PubChem (CID 133416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).