1-(2-ethyltridecyl)imidazole;hydrochloride

C18H35ClN2 — CID 175493455

IUPAC1-(2-ethyltridecyl)imidazole;hydrochloride
SMILESCCCCCCCCCCCC(CC)Cn1ccnc1.Cl
InChIInChI=1S/C18H34N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)16-20-15-14-19-17-20;/h14-15,17-18H,3-13,16H2,1-2H3;1H
InChIKeyBOESTBJGFCVEQI-UHFFFAOYSA-N
MW314.94 g/mol
LogP6.25
Rot. Bonds13

About 1-(2-ethyltridecyl)imidazole;hydrochloride

1-(2-ethyltridecyl)imidazole;hydrochloride (PubChem CID 175493455) has the molecular formula C18H35ClN2 and a molecular weight of 314.94 g/mol. Its IUPAC name is 1-(2-ethyltridecyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyltridecyl)imidazole;hydrochloride
PubChem CID175493455
Molecular FormulaC18H35ClN2
Molecular Weight314.94 g/mol
Exact Mass314.25
IUPAC Name1-(2-ethyltridecyl)imidazole;hydrochloride
SMILESCCCCCCCCCCCC(CC)Cn1ccnc1.Cl
InChIInChI=1S/C18H34N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)16-20-15-14-19-17-20;/h14-15,17-18H,3-13,16H2,1-2H3;1H
InChIKeyBOESTBJGFCVEQI-UHFFFAOYSA-N
XLogP6.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.94
LogP ≤ 56.25
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

(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
CID 134251043
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
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1-(2-propylsulfanyldecyl)imidazole
CID 21397909
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
1-ethylimidazole;octane
CID 145297576
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyltridecyl)imidazole;hydrochloride?
The IUPAC name of 1-(2-ethyltridecyl)imidazole;hydrochloride (CID 175493455) is 1-(2-ethyltridecyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(2-ethyltridecyl)imidazole;hydrochloride?
The canonical SMILES for 1-(2-ethyltridecyl)imidazole;hydrochloride is CCCCCCCCCCCC(CC)Cn1ccnc1.Cl.
What is the InChIKey of 1-(2-ethyltridecyl)imidazole;hydrochloride?
The InChIKey is BOESTBJGFCVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)16-20-15-14-19-17-20;/h14-15,17-18H,3-13,16H2,1-2H3;1H.
What are the key properties of 1-(2-ethyltridecyl)imidazole;hydrochloride?
1-(2-ethyltridecyl)imidazole;hydrochloride has a molecular weight of 314.94 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyltridecyl)imidazole;hydrochloride is sourced from PubChem (CID 175493455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).