[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine

C13H17BrN4 — CID 105197993

IUPAC[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
SMILESCCCn1ccnc1C(NN)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-2-7-18-8-6-16-13(18)12(17-15)10-4-3-5-11(14)9-10/h3-6,8-9,12,17H,2,7,15H2,1H3
InChIKeyGJHHOQVYASVJLD-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.61
Rot. Bonds5

About [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine

[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine (PubChem CID 105197993) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
PubChem CID105197993
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
SMILESCCCn1ccnc1C(NN)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-2-7-18-8-6-16-13(18)12(17-15)10-4-3-5-11(14)9-10/h3-6,8-9,12,17H,2,7,15H2,1H3
InChIKeyGJHHOQVYASVJLD-UHFFFAOYSA-N
XLogP2.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.61
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-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
[(1-propylimidazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105307552
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
[(1-ethylimidazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105308398
[(2-methylpyrazol-3-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307580
[(3-fluoro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105257823
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 62919527
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
[(1-ethylimidazol-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196054
4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
CID 105263384

Frequently Asked Questions

What is the IUPAC name of [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine (CID 105197993) is [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine is CCCn1ccnc1C(NN)c1cccc(Br)c1.
What is the InChIKey of [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
The InChIKey is GJHHOQVYASVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-7-18-8-6-16-13(18)12(17-15)10-4-3-5-11(14)9-10/h3-6,8-9,12,17H,2,7,15H2,1H3.
What are the key properties of [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine?
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine has a molecular weight of 309.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105197993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).