[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

C13H17BrN4 — CID 105308418

IUPAC[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN4/c1-3-18-7-6-16-13(18)12(17-15)10-5-4-9(2)11(14)8-10/h4-8,12,17H,3,15H2,1-2H3
InChIKeyNGIZVQNNOTWDGR-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.53
Rot. Bonds4

About [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (PubChem CID 105308418) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
PubChem CID105308418
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN4/c1-3-18-7-6-16-13(18)12(17-15)10-5-4-9(2)11(14)8-10/h4-8,12,17H,3,15H2,1-2H3
InChIKeyNGIZVQNNOTWDGR-UHFFFAOYSA-N
XLogP2.53
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
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

[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
[(1-ethylimidazol-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196054
4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
CID 105263384
[(1-ethylimidazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105308398
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
[(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105266290
[(1-propylimidazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105307552
[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308409
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332597
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (CID 105308418) is [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is CCn1ccnc1C(NN)c1ccc(C)c(Br)c1.
What is the InChIKey of [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The InChIKey is NGIZVQNNOTWDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-18-7-6-16-13(18)12(17-15)10-5-4-9(2)11(14)8-10/h4-8,12,17H,3,15H2,1-2H3.
What are the key properties of [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine has a molecular weight of 309.21 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105308418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).