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

C13H16BrClN4 — CID 114025677

IUPAC[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)10-3-2-9(15)8-11(10)14/h2-3,6-8,12,18H,4-5,16H2,1H3
InChIKeyLAMCBYCTHXJWTA-UHFFFAOYSA-N
MW343.66 g/mol
LogP2.97
Rot. Bonds5

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

[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 114025677) has the molecular formula C13H16BrClN4 and a molecular weight of 343.66 g/mol. Its IUPAC name is [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID114025677
Molecular FormulaC13H16BrClN4
Molecular Weight343.66 g/mol
Exact Mass342.02
IUPAC Name[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)10-3-2-9(15)8-11(10)14/h2-3,6-8,12,18H,4-5,16H2,1H3
InChIKeyLAMCBYCTHXJWTA-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-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923
4-[1-hydrazinyl-3-(1-methylimidazol-2-yl)propyl]-1-methylpyrazol-5-amine
CID 105230895
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340409
[1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105269123
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 114025677) is [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1ccc(Cl)cc1Br.
What is the InChIKey of [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is LAMCBYCTHXJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4/c1-19-7-6-17-13(19)5-4-12(18-16)10-3-2-9(15)8-11(10)14/h2-3,6-8,12,18H,4-5,16H2,1H3.
What are the key properties of [1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(2-bromo-4-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-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 114025677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).