4,5-dibutyl-1,2,3-trimethyl-2H-imidazole

C14H28N2 — CID 90381300

IUPAC4,5-dibutyl-1,2,3-trimethyl-2H-imidazole
SMILESCCCCC1=C(CCCC)N(C)C(C)N1C
InChIInChI=1S/C14H28N2/c1-6-8-10-13-14(11-9-7-2)16(5)12(3)15(13)4/h12H,6-11H2,1-5H3
InChIKeyHLMBEJLNZDGNOI-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.80
Rot. Bonds6

About 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole

4,5-dibutyl-1,2,3-trimethyl-2H-imidazole (PubChem CID 90381300) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole.

Molecular Properties

Compound Name4,5-dibutyl-1,2,3-trimethyl-2H-imidazole
PubChem CID90381300
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4,5-dibutyl-1,2,3-trimethyl-2H-imidazole
SMILESCCCCC1=C(CCCC)N(C)C(C)N1C
InChIInChI=1S/C14H28N2/c1-6-8-10-13-14(11-9-7-2)16(5)12(3)15(13)4/h12H,6-11H2,1-5H3
InChIKeyHLMBEJLNZDGNOI-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole?
The IUPAC name of 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole (CID 90381300) is 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole.
What is the SMILES notation for 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole?
The canonical SMILES for 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole is CCCCC1=C(CCCC)N(C)C(C)N1C.
What is the InChIKey of 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole?
The InChIKey is HLMBEJLNZDGNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-8-10-13-14(11-9-7-2)16(5)12(3)15(13)4/h12H,6-11H2,1-5H3.
What are the key properties of 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole?
4,5-dibutyl-1,2,3-trimethyl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-1,2,3-trimethyl-2H-imidazole is sourced from PubChem (CID 90381300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).