[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

C12H14BrClN4 — CID 105308409

IUPAC[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClN4/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,15H2,1H3
InChIKeyAZJNMPNIISRPQC-UHFFFAOYSA-N
MW329.63 g/mol
LogP2.87
Rot. Bonds4

About [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (PubChem CID 105308409) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
PubChem CID105308409
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClN4/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,15H2,1H3
InChIKeyAZJNMPNIISRPQC-UHFFFAOYSA-N
XLogP2.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 52.87
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

4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
CID 105263384
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
[(2,5-dimethylfuran-3-yl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308447
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
[(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308368
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (CID 105308409) is [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is CCn1ccnc1C(NN)c1cc(Br)ccc1Cl.
What is the InChIKey of [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The InChIKey is AZJNMPNIISRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,15H2,1H3.
What are the key properties of [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine has a molecular weight of 329.63 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105308409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).