1-dodecyl-2-ethylimidazole;hydrochloride

C17H33ClN2 — CID 70439493

IUPAC1-dodecyl-2-ethylimidazole;hydrochloride
SMILESCCCCCCCCCCCCn1ccnc1CC.Cl
InChIInChI=1S/C17H32N2.ClH/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
InChIKeyNUYBXFSBHIWSQV-UHFFFAOYSA-N
MW300.92 g/mol
LogP5.79
Rot. Bonds12

About 1-dodecyl-2-ethylimidazole;hydrochloride

1-dodecyl-2-ethylimidazole;hydrochloride (PubChem CID 70439493) has the molecular formula C17H33ClN2 and a molecular weight of 300.92 g/mol. Its IUPAC name is 1-dodecyl-2-ethylimidazole;hydrochloride.

Molecular Properties

Compound Name1-dodecyl-2-ethylimidazole;hydrochloride
PubChem CID70439493
Molecular FormulaC17H33ClN2
Molecular Weight300.92 g/mol
Exact Mass300.23
IUPAC Name1-dodecyl-2-ethylimidazole;hydrochloride
SMILESCCCCCCCCCCCCn1ccnc1CC.Cl
InChIInChI=1S/C17H32N2.ClH/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
InChIKeyNUYBXFSBHIWSQV-UHFFFAOYSA-N
XLogP5.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.92
LogP ≤ 55.79
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;hydrobromide
CID 175123705
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
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1,2-di(pentadecyl)imidazole
CID 69388452
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
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

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethylimidazole;hydrochloride?
The IUPAC name of 1-dodecyl-2-ethylimidazole;hydrochloride (CID 70439493) is 1-dodecyl-2-ethylimidazole;hydrochloride.
What is the SMILES notation for 1-dodecyl-2-ethylimidazole;hydrochloride?
The canonical SMILES for 1-dodecyl-2-ethylimidazole;hydrochloride is CCCCCCCCCCCCn1ccnc1CC.Cl.
What is the InChIKey of 1-dodecyl-2-ethylimidazole;hydrochloride?
The InChIKey is NUYBXFSBHIWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.ClH/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;hydrochloride?
1-dodecyl-2-ethylimidazole;hydrochloride has a molecular weight of 300.92 g/mol, XLogP of 5.79, 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;hydrochloride is sourced from PubChem (CID 70439493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).