[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

C14H20N4O2S — CID 105258950

IUPAC[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)C2CCS(=O)(=O)C2)nc2ccccc21
InChIInChI=1S/C14H20N4O2S/c1-18-13-5-3-2-4-11(13)16-14(18)8-12(17-15)10-6-7-21(19,20)9-10/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyYVNZZXKAFKRCOX-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.38
Rot. Bonds4

About [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (PubChem CID 105258950) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
PubChem CID105258950
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)C2CCS(=O)(=O)C2)nc2ccccc21
InChIInChI=1S/C14H20N4O2S/c1-18-13-5-3-2-4-11(13)16-14(18)8-12(17-15)10-6-7-21(19,20)9-10/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyYVNZZXKAFKRCOX-UHFFFAOYSA-N
XLogP0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.38
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'}

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Related Compounds

[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249700
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321049
[2-(1-propylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105320892
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine (CID 105258950) is [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is Cn1c(CC(NN)C2CCS(=O)(=O)C2)nc2ccccc21.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
The InChIKey is YVNZZXKAFKRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-18-13-5-3-2-4-11(13)16-14(18)8-12(17-15)10-6-7-21(19,20)9-10/h2-5,10,12,17H,6-9,15H2,1H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine has a molecular weight of 308.41 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105258950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).