1-nonylimidazole;hydrobromide

C12H23BrN2 — CID 175434544

IUPAC1-nonylimidazole;hydrobromide
SMILESBr.CCCCCCCCCn1ccnc1
InChIInChI=1S/C12H22N2.BrH/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;/h9,11-12H,2-8,10H2,1H3;1H
InChIKeyIJEXFZWRGWYYRE-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.21
Rot. Bonds8

About 1-nonylimidazole;hydrobromide

1-nonylimidazole;hydrobromide (PubChem CID 175434544) has the molecular formula C12H23BrN2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-nonylimidazole;hydrobromide.

Molecular Properties

Compound Name1-nonylimidazole;hydrobromide
PubChem CID175434544
Molecular FormulaC12H23BrN2
Molecular Weight275.23 g/mol
Exact Mass274.10
IUPAC Name1-nonylimidazole;hydrobromide
SMILESBr.CCCCCCCCCn1ccnc1
InChIInChI=1S/C12H22N2.BrH/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;/h9,11-12H,2-8,10H2,1H3;1H
InChIKeyIJEXFZWRGWYYRE-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nonylimidazole;hydrobromide?
The IUPAC name of 1-nonylimidazole;hydrobromide (CID 175434544) is 1-nonylimidazole;hydrobromide.
What is the SMILES notation for 1-nonylimidazole;hydrobromide?
The canonical SMILES for 1-nonylimidazole;hydrobromide is Br.CCCCCCCCCn1ccnc1.
What is the InChIKey of 1-nonylimidazole;hydrobromide?
The InChIKey is IJEXFZWRGWYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.BrH/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;/h9,11-12H,2-8,10H2,1H3;1H.
What are the key properties of 1-nonylimidazole;hydrobromide?
1-nonylimidazole;hydrobromide has a molecular weight of 275.23 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylimidazole;hydrobromide is sourced from PubChem (CID 175434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).