[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine

C12H16N4O — CID 116884138

IUPAC[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCOc1ccc(-c2cnc(NN)[nH]2)c(C)c1C
InChIInChI=1S/C12H16N4O/c1-7-8(2)11(17-3)5-4-9(7)10-6-14-12(15-10)16-13/h4-6H,13H2,1-3H3,(H2,14,15,16)
InChIKeyCQMLMOPYYFZUDZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.99
Rot. Bonds3

About [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine

[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine (PubChem CID 116884138) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
PubChem CID116884138
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCOc1ccc(-c2cnc(NN)[nH]2)c(C)c1C
InChIInChI=1S/C12H16N4O/c1-7-8(2)11(17-3)5-4-9(7)10-6-14-12(15-10)16-13/h4-6H,13H2,1-3H3,(H2,14,15,16)
InChIKeyCQMLMOPYYFZUDZ-UHFFFAOYSA-N
XLogP1.99
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine?
The IUPAC name of [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine (CID 116884138) is [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine.
What is the SMILES notation for [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine?
The canonical SMILES for [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine is COc1ccc(-c2cnc(NN)[nH]2)c(C)c1C.
What is the InChIKey of [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine?
The InChIKey is CQMLMOPYYFZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-8(2)11(17-3)5-4-9(7)10-6-14-12(15-10)16-13/h4-6H,13H2,1-3H3,(H2,14,15,16).
What are the key properties of [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine?
[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine has a molecular weight of 232.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine is sourced from PubChem (CID 116884138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).