5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide

C14H20N4O2S — CID 63582635

IUPAC5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide
SMILESCCOc1ccc2nc(SCCCCC(=O)NN)[nH]c2c1
InChIInChI=1S/C14H20N4O2S/c1-2-20-10-6-7-11-12(9-10)17-14(16-11)21-8-4-3-5-13(19)18-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOEJSJGKSCQKIG-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.21
Rot. Bonds8

About 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide

5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide (PubChem CID 63582635) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide.

Molecular Properties

Compound Name5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide
PubChem CID63582635
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide
SMILESCCOc1ccc2nc(SCCCCC(=O)NN)[nH]c2c1
InChIInChI=1S/C14H20N4O2S/c1-2-20-10-6-7-11-12(9-10)17-14(16-11)21-8-4-3-5-13(19)18-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOEJSJGKSCQKIG-UHFFFAOYSA-N
XLogP2.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 61385799
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638
6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylhexan-2-amine
CID 64619413
methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanoate
CID 43400753
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
N-(benzylcarbamoyl)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 24681484
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 24681455
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
CID 64820862
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide?
The IUPAC name of 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide (CID 63582635) is 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide.
What is the SMILES notation for 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide?
The canonical SMILES for 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide is CCOc1ccc2nc(SCCCCC(=O)NN)[nH]c2c1.
What is the InChIKey of 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide?
The InChIKey is KOEJSJGKSCQKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-20-10-6-7-11-12(9-10)17-14(16-11)21-8-4-3-5-13(19)18-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide?
5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide has a molecular weight of 308.41 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide is sourced from PubChem (CID 63582635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).