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

C13H26N2 — CID 162303314

IUPAC4,5-dibutyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1=C(CCCC)N(C)CN1C
InChIInChI=1S/C13H26N2/c1-5-7-9-12-13(10-8-6-2)15(4)11-14(12)3/h5-11H2,1-4H3
InChIKeyZNQPCQSAFSPEKU-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.41
Rot. Bonds6

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

4,5-dibutyl-1,3-dimethyl-2H-imidazole (PubChem CID 162303314) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4,5-dibutyl-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name4,5-dibutyl-1,3-dimethyl-2H-imidazole
PubChem CID162303314
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4,5-dibutyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1=C(CCCC)N(C)CN1C
InChIInChI=1S/C13H26N2/c1-5-7-9-12-13(10-8-6-2)15(4)11-14(12)3/h5-11H2,1-4H3
InChIKeyZNQPCQSAFSPEKU-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-1,3-dimethyl-2H-imidazole?
The IUPAC name of 4,5-dibutyl-1,3-dimethyl-2H-imidazole (CID 162303314) is 4,5-dibutyl-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 4,5-dibutyl-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 4,5-dibutyl-1,3-dimethyl-2H-imidazole is CCCCC1=C(CCCC)N(C)CN1C.
What is the InChIKey of 4,5-dibutyl-1,3-dimethyl-2H-imidazole?
The InChIKey is ZNQPCQSAFSPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-9-12-13(10-8-6-2)15(4)11-14(12)3/h5-11H2,1-4H3.
What are the key properties of 4,5-dibutyl-1,3-dimethyl-2H-imidazole?
4,5-dibutyl-1,3-dimethyl-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 162303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).