2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole

C11H20N2 — CID 142388675

IUPAC2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole
SMILESC=CC1NC(CC)=C(CCC)N1C
InChIInChI=1S/C11H20N2/c1-5-8-10-9(6-2)12-11(7-3)13(10)4/h7,11-12H,3,5-6,8H2,1-2,4H3
InChIKeyIJJFOPRJYBJGFP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds4

About 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole

2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole (PubChem CID 142388675) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole
PubChem CID142388675
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole
SMILESC=CC1NC(CC)=C(CCC)N1C
InChIInChI=1S/C11H20N2/c1-5-8-10-9(6-2)12-11(7-3)13(10)4/h7,11-12H,3,5-6,8H2,1-2,4H3
InChIKeyIJJFOPRJYBJGFP-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole?
The IUPAC name of 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole (CID 142388675) is 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole.
What is the SMILES notation for 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole?
The canonical SMILES for 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole is C=CC1NC(CC)=C(CCC)N1C.
What is the InChIKey of 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole?
The InChIKey is IJJFOPRJYBJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-8-10-9(6-2)12-11(7-3)13(10)4/h7,11-12H,3,5-6,8H2,1-2,4H3.
What are the key properties of 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole?
2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole has a molecular weight of 180.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole is sourced from PubChem (CID 142388675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).