[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine

C13H18N4O — CID 105252074

IUPAC[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine
SMILESCCCOc1ccccc1C(NN)c1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-2-9-18-11-6-4-3-5-10(11)12(17-14)13-15-7-8-16-13/h3-8,12,17H,2,9,14H2,1H3,(H,15,16)
InChIKeyDFCSVCSGLHUIFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds6

About [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine

[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine (PubChem CID 105252074) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine
PubChem CID105252074
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine
SMILESCCCOc1ccccc1C(NN)c1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-2-9-18-11-6-4-3-5-10(11)12(17-14)13-15-7-8-16-13/h3-8,12,17H,2,9,14H2,1H3,(H,15,16)
InChIKeyDFCSVCSGLHUIFP-UHFFFAOYSA-N
XLogP1.75
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
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

[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
[(3-methyl-4-pyridinyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105261791
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
CID 103140456
[(5-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334353
[(3-chlorophenyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105194583
[(2,5-dibromothiophen-3-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 107970581
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
[(2-ethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195729
[(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334423
[2-(4-fluorophenyl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198245
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
1-(2-propoxyphenyl)octylhydrazine
CID 105334374

Frequently Asked Questions

What is the IUPAC name of [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine?
The IUPAC name of [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine (CID 105252074) is [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine?
The canonical SMILES for [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine is CCCOc1ccccc1C(NN)c1ncc[nH]1.
What is the InChIKey of [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine?
The InChIKey is DFCSVCSGLHUIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-9-18-11-6-4-3-5-10(11)12(17-14)13-15-7-8-16-13/h3-8,12,17H,2,9,14H2,1H3,(H,15,16).
What are the key properties of [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine?
[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine has a molecular weight of 246.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105252074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).