[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine

C12H15BrN4O — CID 105252149

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2ncc[nH]2)c1
InChIInChI=1S/C12H15BrN4O/c1-18-9-2-3-10(13)8(6-9)7-11(17-14)12-15-4-5-16-12/h2-6,11,17H,7,14H2,1H3,(H,15,16)
InChIKeyROHOYYYEALHNTK-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.93
Rot. Bonds5

About [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine

[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine (PubChem CID 105252149) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
PubChem CID105252149
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2ncc[nH]2)c1
InChIInChI=1S/C12H15BrN4O/c1-18-9-2-3-10(13)8(6-9)7-11(17-14)12-15-4-5-16-12/h2-6,11,17H,7,14H2,1H3,(H,15,16)
InChIKeyROHOYYYEALHNTK-UHFFFAOYSA-N
XLogP1.93
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.93
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'}

Analyze [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
[2-(2-fluoro-3-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252342
[2-(2-bromo-5-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251145
[2-(2-bromo-5-methoxyphenyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105309449
[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105309441
[2-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252049
[2-(2-bromo-5-methoxyphenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221324
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
[2-(2-bromo-5-methoxyphenyl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105309525
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105309446
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
[2-(2-bromo-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252067

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine (CID 105252149) is [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine is COc1ccc(Br)c(CC(NN)c2ncc[nH]2)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine?
The InChIKey is ROHOYYYEALHNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-18-9-2-3-10(13)8(6-9)7-11(17-14)12-15-4-5-16-12/h2-6,11,17H,7,14H2,1H3,(H,15,16).
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine?
[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine has a molecular weight of 311.18 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105252149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).