[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine

C14H22N4O2S — CID 105310801

IUPAC[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NN
InChIInChI=1S/C14H22N4O2S/c1-2-21(19,20)9-5-6-12(17-15)10-18-11-16-13-7-3-4-8-14(13)18/h3-4,7-8,11-12,17H,2,5-6,9-10,15H2,1H3
InChIKeyNVKCULQKXYTNIX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.08
Rot. Bonds8

About [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine

[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine (PubChem CID 105310801) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine
PubChem CID105310801
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NN
InChIInChI=1S/C14H22N4O2S/c1-2-21(19,20)9-5-6-12(17-15)10-18-11-16-13-7-3-4-8-14(13)18/h3-4,7-8,11-12,17H,2,5-6,9-10,15H2,1H3
InChIKeyNVKCULQKXYTNIX-UHFFFAOYSA-N
XLogP1.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 105112839
[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313825
[1-(benzimidazol-1-yl)-4-phenylbutan-2-yl]hydrazine
CID 105285825
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
[1-(benzimidazol-1-yl)-4-ethyloctan-2-yl]hydrazine
CID 105288251
[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
CID 105323983
[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105284192
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
[1-(benzimidazol-1-yl)-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
CID 105322853
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409

Frequently Asked Questions

What is the IUPAC name of [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine?
The IUPAC name of [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine (CID 105310801) is [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine is CCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NN.
What is the InChIKey of [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine?
The InChIKey is NVKCULQKXYTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-21(19,20)9-5-6-12(17-15)10-18-11-16-13-7-3-4-8-14(13)18/h3-4,7-8,11-12,17H,2,5-6,9-10,15H2,1H3.
What are the key properties of [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine?
[1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine has a molecular weight of 310.42 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzimidazol-1-yl)-5-ethylsulfonylpentan-2-yl]hydrazine is sourced from PubChem (CID 105310801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).