[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine

C14H18N4O2 — CID 105322925

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C14H18N4O2/c1-18-6-5-16-13(18)9-11(17-15)10-3-2-4-12-14(10)20-8-7-19-12/h2-6,11,17H,7-9,15H2,1H3
InChIKeyXMLIRELSSLZCQA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.94
Rot. Bonds4

About [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105322925) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
PubChem CID105322925
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C14H18N4O2/c1-18-6-5-16-13(18)9-11(17-15)10-3-2-4-12-14(10)20-8-7-19-12/h2-6,11,17H,7-9,15H2,1H3
InChIKeyXMLIRELSSLZCQA-UHFFFAOYSA-N
XLogP0.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.94
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-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylidenepentyl]hydrazine
CID 105320330
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307421
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237375
[1-(2,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322911
[2-(1-methylimidazol-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105262020
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (CID 105322925) is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is Cn1ccnc1CC(NN)c1cccc2c1OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is XMLIRELSSLZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-6-5-16-13(18)9-11(17-15)10-3-2-4-12-14(10)20-8-7-19-12/h2-6,11,17H,7-9,15H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 274.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105322925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).