1,3-dibutyl-2-chloroimidazolidine

C11H23ClN2 — CID 18347940

IUPAC1,3-dibutyl-2-chloroimidazolidine
SMILESCCCCN1CCN(CCCC)C1Cl
InChIInChI=1S/C11H23ClN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyZJJFZASPZIMVAR-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.73
Rot. Bonds6

About 1,3-dibutyl-2-chloroimidazolidine

1,3-dibutyl-2-chloroimidazolidine (PubChem CID 18347940) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 1,3-dibutyl-2-chloroimidazolidine.

Molecular Properties

Compound Name1,3-dibutyl-2-chloroimidazolidine
PubChem CID18347940
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name1,3-dibutyl-2-chloroimidazolidine
SMILESCCCCN1CCN(CCCC)C1Cl
InChIInChI=1S/C11H23ClN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyZJJFZASPZIMVAR-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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(2S,3R)-1-butyl-3-chloro-2-methylpiperidine
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1-butyl-2,3-dimethylpyrrolidine
CID 123853646
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-butylpyrrolidin-2-amine
CID 152748191
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
(2S)-1-butyl-2-propan-2-ylaziridine
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1-butyl-2-ethenylpyrrolidine
CID 11332575

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-chloroimidazolidine?
The IUPAC name of 1,3-dibutyl-2-chloroimidazolidine (CID 18347940) is 1,3-dibutyl-2-chloroimidazolidine.
What is the SMILES notation for 1,3-dibutyl-2-chloroimidazolidine?
The canonical SMILES for 1,3-dibutyl-2-chloroimidazolidine is CCCCN1CCN(CCCC)C1Cl.
What is the InChIKey of 1,3-dibutyl-2-chloroimidazolidine?
The InChIKey is ZJJFZASPZIMVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1,3-dibutyl-2-chloroimidazolidine?
1,3-dibutyl-2-chloroimidazolidine has a molecular weight of 218.77 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-chloroimidazolidine is sourced from PubChem (CID 18347940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).