[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

C14H20N4OS — CID 105249700

IUPAC[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)C2CSCCO2)nc2ccccc21
InChIInChI=1S/C14H20N4OS/c1-18-12-5-3-2-4-10(12)16-14(18)8-11(17-15)13-9-20-7-6-19-13/h2-5,11,13,17H,6-9,15H2,1H3
InChIKeyXJIHKMQSUCOGGR-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.08
Rot. Bonds4

About [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (PubChem CID 105249700) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
PubChem CID105249700
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESCn1c(CC(NN)C2CSCCO2)nc2ccccc21
InChIInChI=1S/C14H20N4OS/c1-18-12-5-3-2-4-10(12)16-14(18)8-11(17-15)13-9-20-7-6-19-13/h2-5,11,13,17H,6-9,15H2,1H3
InChIKeyXJIHKMQSUCOGGR-UHFFFAOYSA-N
XLogP1.08
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
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'}

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Related Compounds

[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[2-(1-propylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105320892
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824368
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105258950
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (CID 105249700) is [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is Cn1c(CC(NN)C2CSCCO2)nc2ccccc21.
What is the InChIKey of [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The InChIKey is XJIHKMQSUCOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-18-12-5-3-2-4-10(12)16-14(18)8-11(17-15)13-9-20-7-6-19-13/h2-5,11,13,17H,6-9,15H2,1H3.
What are the key properties of [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine has a molecular weight of 292.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).