5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

C13H9Cl2N3S — CID 101040135

IUPAC5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESClc1cc2nc(SCc3ccccn3)[nH]c2cc1Cl
InChIInChI=1S/C13H9Cl2N3S/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-3-1-2-4-16-8/h1-6H,7H2,(H,17,18)
InChIKeyQQPLHHVUOLYAIK-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.56
Rot. Bonds3

About 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (PubChem CID 101040135) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
PubChem CID101040135
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESClc1cc2nc(SCc3ccccn3)[nH]c2cc1Cl
InChIInChI=1S/C13H9Cl2N3S/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-3-1-2-4-16-8/h1-6H,7H2,(H,17,18)
InChIKeyQQPLHHVUOLYAIK-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pyridin-2-ylmethylsulfanyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole;dihydrochloride
CID 23313798
2-(pyridin-2-ylmethylsulfanyl)-1,8-dihydro-[1,3]dioxino[4,5-f]benzimidazole
CID 13343806
2-(pyridin-2-ylmethylsulfanyl)-6-(trioxidanylsulfanyl)-1H-benzimidazole
CID 21018941
2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-benzothiazole
CID 14234978
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722
methyl 2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate
CID 69454734
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 62465703
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
2-[(5,6-dichloro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 155807744

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (CID 101040135) is 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is Clc1cc2nc(SCc3ccccn3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The InChIKey is QQPLHHVUOLYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-3-1-2-4-16-8/h1-6H,7H2,(H,17,18).
What are the key properties of 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole has a molecular weight of 310.21 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 101040135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).