[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine

C13H12ClN5S — CID 62887222

IUPAC[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12ClN5S/c14-8-5-6-12(19-15)16-11(8)7-20-13-17-9-3-1-2-4-10(9)18-13/h1-6H,7,15H2,(H,16,19)(H,17,18)
InChIKeyZLRXMEGCAHOOCW-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.19
Rot. Bonds4

About [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine

[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine (PubChem CID 62887222) has the molecular formula C13H12ClN5S and a molecular weight of 305.79 g/mol. Its IUPAC name is [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
PubChem CID62887222
Molecular FormulaC13H12ClN5S
Molecular Weight305.79 g/mol
Exact Mass305.05
IUPAC Name[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12ClN5S/c14-8-5-6-12(19-15)16-11(8)7-20-13-17-9-3-1-2-4-10(9)18-13/h1-6H,7,15H2,(H,16,19)(H,17,18)
InChIKeyZLRXMEGCAHOOCW-UHFFFAOYSA-N
XLogP3.19
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloropyrimidine-5-carboxylate
CID 10337843
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2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride
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2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
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2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
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2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole
CID 5093656
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
2-[[4-(3-iodopropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 89147872
2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1H-benzimidazole
CID 891869

Frequently Asked Questions

What is the IUPAC name of [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine (CID 62887222) is [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(CSc2nc3ccccc3[nH]2)n1.
What is the InChIKey of [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The InChIKey is ZLRXMEGCAHOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5S/c14-8-5-6-12(19-15)16-11(8)7-20-13-17-9-3-1-2-4-10(9)18-13/h1-6H,7,15H2,(H,16,19)(H,17,18).
What are the key properties of [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine has a molecular weight of 305.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 62887222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).