4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline

C12H16BrN5 — CID 105263384

IUPAC4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
SMILESCCn1ccnc1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrN5/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,14-15H2,1H3
InChIKeyCFXJTEOCQJICDD-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.80
Rot. Bonds4

About 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline

4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline (PubChem CID 105263384) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
PubChem CID105263384
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
SMILESCCn1ccnc1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrN5/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,14-15H2,1H3
InChIKeyCFXJTEOCQJICDD-UHFFFAOYSA-N
XLogP1.80
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308409
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
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
[(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308368
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
[(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105308467
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline (CID 105263384) is 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline is CCn1ccnc1C(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline?
The InChIKey is CFXJTEOCQJICDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-2-18-6-5-16-12(18)11(17-15)9-7-8(13)3-4-10(9)14/h3-7,11,17H,2,14-15H2,1H3.
What are the key properties of 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline?
4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline has a molecular weight of 310.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).