4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide

C15H14N4OS — CID 2360213

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N4OS/c16-19-14(20)11-7-5-10(6-8-11)9-21-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9,16H2,(H,17,18)(H,19,20)
InChIKeyBFVLGUXANYIAGS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.46
Rot. Bonds4

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide

4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 2360213) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
PubChem CID2360213
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N4OS/c16-19-14(20)11-7-5-10(6-8-11)9-21-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9,16H2,(H,17,18)(H,19,20)
InChIKeyBFVLGUXANYIAGS-UHFFFAOYSA-N
XLogP2.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.46
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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Related Compounds

N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 2081457
N-(1H-1,3-benzodiazol-2-yl)-4-methylbenzamide
CID 2162753
4-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid
CID 4992159
N-(1H-benzimidazol-2-yl)-4-fluorobenzamide
CID 2583534
2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethylsulfanyl)-1H-benzimidazole-4-carboxylic Acid Amide
CID 11221219
2-((2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)methylthio)-1H-benzo[d]imidazole-4-carboxamide
CID 11772312
2-((1H-Benzimidazol-2-yl)sulfanyl)acetohydrazide
CID 676606
N-(1H-benzimidazol-2-yl)-4-cyanobenzamide
CID 2094734
N-(1H-benzimidazol-2-yl)-3,5-difluorobenzamide
CID 2115841
4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 2119148
N-(1H-benzimidazol-2-yl)-2-methylsulfanylbenzamide
CID 2473752
N-(1H-benzimidazol-2-yl)-4-ethylbenzamide
CID 2583738

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide (CID 2360213) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is BFVLGUXANYIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-19-14(20)11-7-5-10(6-8-11)9-21-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9,16H2,(H,17,18)(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide has a molecular weight of 298.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 2360213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).