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

C13H16BrClN4 — CID 105340362

IUPAC[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)9-2-3-10(14)11(15)8-9/h2-3,6-8,12,18H,4-5,16H2,1H3
InChIKeyXNTZXKNICAEIMS-UHFFFAOYSA-N
MW343.66 g/mol
LogP2.97
Rot. Bonds5

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

[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 105340362) has the molecular formula C13H16BrClN4 and a molecular weight of 343.66 g/mol. Its IUPAC name is [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID105340362
Molecular FormulaC13H16BrClN4
Molecular Weight343.66 g/mol
Exact Mass342.02
IUPAC Name[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)9-2-3-10(14)11(15)8-9/h2-3,6-8,12,18H,4-5,16H2,1H3
InChIKeyXNTZXKNICAEIMS-UHFFFAOYSA-N
XLogP2.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 52.97
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

[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 114025677
[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340426
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340409
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530181
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 105340362) is [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1ccc(Br)c(Cl)c1.
What is the InChIKey of [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is XNTZXKNICAEIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)9-2-3-10(14)11(15)8-9/h2-3,6-8,12,18H,4-5,16H2,1H3.
What are the key properties of [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine has a molecular weight of 343.66 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).