1-dodecyl-2-ethylimidazole;hydrobromide

C17H33BrN2 — CID 175123705

IUPAC1-dodecyl-2-ethylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCn1ccnc1CC
InChIInChI=1S/C17H32N2.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H
InChIKeyNFSSOEIIKQVBGC-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.94
Rot. Bonds12

About 1-dodecyl-2-ethylimidazole;hydrobromide

1-dodecyl-2-ethylimidazole;hydrobromide (PubChem CID 175123705) has the molecular formula C17H33BrN2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-dodecyl-2-ethylimidazole;hydrobromide.

Molecular Properties

Compound Name1-dodecyl-2-ethylimidazole;hydrobromide
PubChem CID175123705
Molecular FormulaC17H33BrN2
Molecular Weight345.37 g/mol
Exact Mass344.18
IUPAC Name1-dodecyl-2-ethylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCn1ccnc1CC
InChIInChI=1S/C17H32N2.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H
InChIKeyNFSSOEIIKQVBGC-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.94
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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Related Compounds

1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
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1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
1-pentylimidazol-2-amine
CID 61354351
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethylimidazole;hydrobromide?
The IUPAC name of 1-dodecyl-2-ethylimidazole;hydrobromide (CID 175123705) is 1-dodecyl-2-ethylimidazole;hydrobromide.
What is the SMILES notation for 1-dodecyl-2-ethylimidazole;hydrobromide?
The canonical SMILES for 1-dodecyl-2-ethylimidazole;hydrobromide is Br.CCCCCCCCCCCCn1ccnc1CC.
What is the InChIKey of 1-dodecyl-2-ethylimidazole;hydrobromide?
The InChIKey is NFSSOEIIKQVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H.
What are the key properties of 1-dodecyl-2-ethylimidazole;hydrobromide?
1-dodecyl-2-ethylimidazole;hydrobromide has a molecular weight of 345.37 g/mol, XLogP of 5.94, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethylimidazole;hydrobromide is sourced from PubChem (CID 175123705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).