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

C15H14N4OS — CID 63581501

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c16-19-14(20)13(10-6-2-1-3-7-10)21-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,16H2,(H,17,18)(H,19,20)
InChIKeyGDGGWBVOSKYMII-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.39
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide (PubChem CID 63581501) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
PubChem CID63581501
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c16-19-14(20)13(10-6-2-1-3-7-10)21-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,16H2,(H,17,18)(H,19,20)
InChIKeyGDGGWBVOSKYMII-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanehydrazide
CID 63581693
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25379764
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 51901759
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
3-amino-2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 64695466
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7246804
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide (CID 63581501) is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide is NNC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide?
The InChIKey is GDGGWBVOSKYMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-19-14(20)13(10-6-2-1-3-7-10)21-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide?
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide has a molecular weight of 298.37 g/mol, XLogP of 2.39, 4 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)-2-phenylacetohydrazide is sourced from PubChem (CID 63581501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).