[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine

C13H18N4O — CID 116884097

IUPAC[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCOc1ccc(C(C)C)cc1-c1cnc(NN)[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)9-4-5-12(18-3)10(6-9)11-7-15-13(16-11)17-14/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyCXCOKHDLJGZVSN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds4

About [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine

[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine (PubChem CID 116884097) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
PubChem CID116884097
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCOc1ccc(C(C)C)cc1-c1cnc(NN)[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)9-4-5-12(18-3)10(6-9)11-7-15-13(16-11)17-14/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyCXCOKHDLJGZVSN-UHFFFAOYSA-N
XLogP2.49
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
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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Related Compounds

[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083
[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884138
2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
CID 116884410
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
[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
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine?
The IUPAC name of [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine (CID 116884097) is [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine?
The canonical SMILES for [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine is COc1ccc(C(C)C)cc1-c1cnc(NN)[nH]1.
What is the InChIKey of [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine?
The InChIKey is CXCOKHDLJGZVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)9-4-5-12(18-3)10(6-9)11-7-15-13(16-11)17-14/h4-8H,14H2,1-3H3,(H2,15,16,17).
What are the key properties of [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine?
[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine has a molecular weight of 246.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine is sourced from PubChem (CID 116884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).