1-butyl-2-ethyl-4,5-dihydroimidazole

C9H18N2 — CID 86103198

IUPAC1-butyl-2-ethyl-4,5-dihydroimidazole
SMILESCCCCN1CCN=C1CC
InChIInChI=1S/C9H18N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-8H2,1-2H3
InChIKeyGMZAFPHMDPOUGL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds4

About 1-butyl-2-ethyl-4,5-dihydroimidazole

1-butyl-2-ethyl-4,5-dihydroimidazole (PubChem CID 86103198) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butyl-2-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-butyl-2-ethyl-4,5-dihydroimidazole
PubChem CID86103198
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butyl-2-ethyl-4,5-dihydroimidazole
SMILESCCCCN1CCN=C1CC
InChIInChI=1S/C9H18N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-8H2,1-2H3
InChIKeyGMZAFPHMDPOUGL-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-4,5-dihydroimidazole?
The IUPAC name of 1-butyl-2-ethyl-4,5-dihydroimidazole (CID 86103198) is 1-butyl-2-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-butyl-2-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-butyl-2-ethyl-4,5-dihydroimidazole is CCCCN1CCN=C1CC.
What is the InChIKey of 1-butyl-2-ethyl-4,5-dihydroimidazole?
The InChIKey is GMZAFPHMDPOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-7-11-8-6-10-9(11)4-2/h3-8H2,1-2H3.
What are the key properties of 1-butyl-2-ethyl-4,5-dihydroimidazole?
1-butyl-2-ethyl-4,5-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 86103198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).