2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide

C9H10N4OS — CID 676606

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
SMILESNNC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N4OS/c10-13-8(14)5-15-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChIKeyUIHKXOZJFOTOCE-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.64
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide

2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide (PubChem CID 676606) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
PubChem CID676606
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
SMILESNNC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N4OS/c10-13-8(14)5-15-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChIKeyUIHKXOZJFOTOCE-UHFFFAOYSA-N
XLogP0.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide (CID 676606) is 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide is NNC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide?
The InChIKey is UIHKXOZJFOTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-13-8(14)5-15-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide?
2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide has a molecular weight of 222.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide is sourced from PubChem (CID 676606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).