[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine

C13H13N5S — CID 113368309

IUPAC[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
SMILESCc1ccc2nc(Sc3ccnc(NN)c3)[nH]c2c1
InChIInChI=1S/C13H13N5S/c1-8-2-3-10-11(6-8)17-13(16-10)19-9-4-5-15-12(7-9)18-14/h2-7H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyKLAWECATLREWJZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.70
Rot. Bonds3

About [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine

[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine (PubChem CID 113368309) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
PubChem CID113368309
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
SMILESCc1ccc2nc(Sc3ccnc(NN)c3)[nH]c2c1
InChIInChI=1S/C13H13N5S/c1-8-2-3-10-11(6-8)17-13(16-10)19-9-4-5-15-12(7-9)18-14/h2-7H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyKLAWECATLREWJZ-UHFFFAOYSA-N
XLogP2.70
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.70
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

5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 102818482
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882835
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine (CID 113368309) is [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine is Cc1ccc2nc(Sc3ccnc(NN)c3)[nH]c2c1.
What is the InChIKey of [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine?
The InChIKey is KLAWECATLREWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-2-3-10-11(6-8)17-13(16-10)19-9-4-5-15-12(7-9)18-14/h2-7H,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine?
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine has a molecular weight of 271.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 113368309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).