[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine

C13H18N4O — CID 105264597

IUPAC[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCCOc1ccc(C(NN)c2cncn2C)cc1
InChIInChI=1S/C13H18N4O/c1-3-18-11-6-4-10(5-7-11)13(16-14)12-8-15-9-17(12)2/h4-9,13,16H,3,14H2,1-2H3
InChIKeyKPXVZHSLKKJTRS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.37
Rot. Bonds5

About [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine

[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 105264597) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
PubChem CID105264597
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCCOc1ccc(C(NN)c2cncn2C)cc1
InChIInChI=1S/C13H18N4O/c1-3-18-11-6-4-10(5-7-11)13(16-14)12-8-15-9-17(12)2/h4-9,13,16H,3,14H2,1-2H3
InChIKeyKPXVZHSLKKJTRS-UHFFFAOYSA-N
XLogP1.37
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
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

(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
CID 82903609
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105264613
[(4-methoxy-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264785
[(4-fluoro-3-methylphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264560
[(4-ethoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288044
[(2-ethoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105260722
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 82903741
[(2,5-dichlorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264678
2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105223778
[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264528

Frequently Asked Questions

What is the IUPAC name of [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine (CID 105264597) is [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine is CCOc1ccc(C(NN)c2cncn2C)cc1.
What is the InChIKey of [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is KPXVZHSLKKJTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-18-11-6-4-10(5-7-11)13(16-14)12-8-15-9-17(12)2/h4-9,13,16H,3,14H2,1-2H3.
What are the key properties of [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 246.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).