2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride

C13H13Cl2N3OS — CID 44662613

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride
SMILESCl.Cl.Oc1cccnc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3OS.2ClH/c17-12-6-3-7-14-11(12)8-18-13-15-9-4-1-2-5-10(9)16-13;;/h1-7,17H,8H2,(H,15,16);2*1H
InChIKeyCKIZGYMSGIZQPJ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.80
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride

2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride (PubChem CID 44662613) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride
PubChem CID44662613
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride
SMILESCl.Cl.Oc1cccnc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3OS.2ClH/c17-12-6-3-7-14-11(12)8-18-13-15-9-4-1-2-5-10(9)16-13;;/h1-7,17H,8H2,(H,15,16);2*1H
InChIKeyCKIZGYMSGIZQPJ-UHFFFAOYSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
2-[[4-(3-chloropropylsulfanyl)-3-methoxy-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;dihydrochloride
CID 70197194
2-[[3-methyl-4-(2-methylpropoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 10853679
2-[(3-methyl-4-prop-2-enoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 10733824
2-[[4-(3-iodopropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 89147872
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171
1,3-dihydrobenzimidazole-2-thione;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 70296678
2-[[4-(4-chlorophenyl)sulfanyl-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 139635710
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride (CID 44662613) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride is Cl.Cl.Oc1cccnc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The InChIKey is CKIZGYMSGIZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS.2ClH/c17-12-6-3-7-14-11(12)8-18-13-15-9-4-1-2-5-10(9)16-13;;/h1-7,17H,8H2,(H,15,16);2*1H.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride has a molecular weight of 330.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 44662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).