1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide

C18H33BrN2O2 — CID 175052158

IUPAC1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
SMILESBr.C=CC(=O)O.C=CN1C=CN(CCCCCCCCCC)C1
InChIInChI=1S/C15H28N2.C3H4O2.BrH/c1-3-5-6-7-8-9-10-11-12-17-14-13-16(4-2)15-17;1-2-3(4)5;/h4,13-14H,2-3,5-12,15H2,1H3;2H,1H2,(H,4,5);1H
InChIKeyXQQICOGIKFZPJA-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.15
Rot. Bonds11

About 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide

1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide (PubChem CID 175052158) has the molecular formula C18H33BrN2O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide.

Molecular Properties

Compound Name1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
PubChem CID175052158
Molecular FormulaC18H33BrN2O2
Molecular Weight389.38 g/mol
Exact Mass388.17
IUPAC Name1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
SMILESBr.C=CC(=O)O.C=CN1C=CN(CCCCCCCCCC)C1
InChIInChI=1S/C15H28N2.C3H4O2.BrH/c1-3-5-6-7-8-9-10-11-12-17-14-13-16(4-2)15-17;1-2-3(4)5;/h4,13-14H,2-3,5-12,15H2,1H3;2H,1H2,(H,4,5);1H
InChIKeyXQQICOGIKFZPJA-UHFFFAOYSA-N
XLogP5.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
CID 175485148
1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
CID 175189511
4-ethenylbenzenesulfonic acid;1-ethenyl-3-hexadecyl-2H-imidazole
CID 175397953
5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
CID 174918742
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-heptyl-3-nonyl-2H-imidazole
CID 69393199

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide?
The IUPAC name of 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide (CID 175052158) is 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide.
What is the SMILES notation for 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide?
The canonical SMILES for 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide is Br.C=CC(=O)O.C=CN1C=CN(CCCCCCCCCC)C1.
What is the InChIKey of 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide?
The InChIKey is XQQICOGIKFZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.C3H4O2.BrH/c1-3-5-6-7-8-9-10-11-12-17-14-13-16(4-2)15-17;1-2-3(4)5;/h4,13-14H,2-3,5-12,15H2,1H3;2H,1H2,(H,4,5);1H.
What are the key properties of 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide?
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide has a molecular weight of 389.38 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide is sourced from PubChem (CID 175052158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).