[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine

C11H12N4O2 — CID 116884195

IUPAC[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine
SMILESCc1cc2c(cc1-c1cnc(NN)[nH]1)OCO2
InChIInChI=1S/C11H12N4O2/c1-6-2-9-10(17-5-16-9)3-7(6)8-4-13-11(14-8)15-12/h2-4H,5,12H2,1H3,(H2,13,14,15)
InChIKeyOXOWICHFURHMTO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.40
Rot. Bonds2

About [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine

[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine (PubChem CID 116884195) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine
PubChem CID116884195
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine
SMILESCc1cc2c(cc1-c1cnc(NN)[nH]1)OCO2
InChIInChI=1S/C11H12N4O2/c1-6-2-9-10(17-5-16-9)3-7(6)8-4-13-11(14-8)15-12/h2-4H,5,12H2,1H3,(H2,13,14,15)
InChIKeyOXOWICHFURHMTO-UHFFFAOYSA-N
XLogP1.40
TPSA85.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazole-2-carboxylic acid
CID 116878557
6-(6-methyl-1,3-benzodioxol-5-yl)-1H-pyrimidine-2-thione
CID 116900637
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]hydrazine
CID 116884079
[2-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1H-pyrrol-3-yl]methanamine
CID 116828215
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083
[5-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884142
[5-(2,4-dimethoxy-6-methylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884179
methyl N-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]carbamate
CID 70628448
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884097

Frequently Asked Questions

What is the IUPAC name of [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine?
The IUPAC name of [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine (CID 116884195) is [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine.
What is the SMILES notation for [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine?
The canonical SMILES for [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine is Cc1cc2c(cc1-c1cnc(NN)[nH]1)OCO2.
What is the InChIKey of [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine?
The InChIKey is OXOWICHFURHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-2-9-10(17-5-16-9)3-7(6)8-4-13-11(14-8)15-12/h2-4H,5,12H2,1H3,(H2,13,14,15).
What are the key properties of [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine?
[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine has a molecular weight of 232.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine is sourced from PubChem (CID 116884195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).