2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole

C22H32Br2N4 — CID 118036109

IUPAC2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole
SMILESC=Cn1ccnc1C(Br)CCCCCCCCCCC(Br)c1nccn1C=C
InChIInChI=1S/C22H32Br2N4/c1-3-27-17-15-25-21(27)19(23)13-11-9-7-5-6-8-10-12-14-20(24)22-26-16-18-28(22)4-2/h3-4,15-20H,1-2,5-14H2
InChIKeyZKRKTVIPEMDFFG-UHFFFAOYSA-N
MW512.33 g/mol
LogP7.75
Rot. Bonds15

About 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole

2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole (PubChem CID 118036109) has the molecular formula C22H32Br2N4 and a molecular weight of 512.33 g/mol. Its IUPAC name is 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole.

Molecular Properties

Compound Name2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole
PubChem CID118036109
Molecular FormulaC22H32Br2N4
Molecular Weight512.33 g/mol
Exact Mass510.10
IUPAC Name2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole
SMILESC=Cn1ccnc1C(Br)CCCCCCCCCCC(Br)c1nccn1C=C
InChIInChI=1S/C22H32Br2N4/c1-3-27-17-15-25-21(27)19(23)13-11-9-7-5-6-8-10-12-14-20(24)22-26-16-18-28(22)4-2/h3-4,15-20H,1-2,5-14H2
InChIKeyZKRKTVIPEMDFFG-UHFFFAOYSA-N
XLogP7.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.33
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole?
The IUPAC name of 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole (CID 118036109) is 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole.
What is the SMILES notation for 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole?
The canonical SMILES for 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole is C=Cn1ccnc1C(Br)CCCCCCCCCCC(Br)c1nccn1C=C.
What is the InChIKey of 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole?
The InChIKey is ZKRKTVIPEMDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Br2N4/c1-3-27-17-15-25-21(27)19(23)13-11-9-7-5-6-8-10-12-14-20(24)22-26-16-18-28(22)4-2/h3-4,15-20H,1-2,5-14H2.
What are the key properties of 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole?
2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole has a molecular weight of 512.33 g/mol, XLogP of 7.75, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole is sourced from PubChem (CID 118036109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).