[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

C13H17IN4 — CID 105340426

IUPAC[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(I)cc1
InChIInChI=1S/C13H17IN4/c1-18-9-8-16-13(18)7-6-12(17-15)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,15H2,1H3
InChIKeyZGNSLJPVCIXRQH-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.16
Rot. Bonds5

About [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 105340426) has the molecular formula C13H17IN4 and a molecular weight of 356.21 g/mol. Its IUPAC name is [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID105340426
Molecular FormulaC13H17IN4
Molecular Weight356.21 g/mol
Exact Mass356.05
IUPAC Name[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(I)cc1
InChIInChI=1S/C13H17IN4/c1-18-9-8-16-13(18)7-6-12(17-15)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,15H2,1H3
InChIKeyZGNSLJPVCIXRQH-UHFFFAOYSA-N
XLogP2.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 105340288
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340409
[3-(1-methylimidazol-2-yl)-1-(5-methylpyrimidin-2-yl)propyl]hydrazine
CID 105261604
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
4-[1-hydrazinyl-3-(1-methylimidazol-2-yl)propyl]-1-methylpyrazol-5-amine
CID 105230895
[1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105269123
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 105340426) is [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1ccc(I)cc1.
What is the InChIKey of [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is ZGNSLJPVCIXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4/c1-18-9-8-16-13(18)7-6-12(17-15)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,15H2,1H3.
What are the key properties of [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine has a molecular weight of 356.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).