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

C9H18N2 — CID 139748903

IUPAC2-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCCCC1=NCCN1CC
InChIInChI=1S/C9H18N2/c1-3-5-6-9-10-7-8-11(9)4-2/h3-8H2,1-2H3
InChIKeyNTHJDFYFRTVOHS-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds4

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

2-butyl-1-ethyl-4,5-dihydroimidazole (PubChem CID 139748903) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-butyl-1-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-butyl-1-ethyl-4,5-dihydroimidazole
PubChem CID139748903
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCCCC1=NCCN1CC
InChIInChI=1S/C9H18N2/c1-3-5-6-9-10-7-8-11(9)4-2/h3-8H2,1-2H3
InChIKeyNTHJDFYFRTVOHS-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 2-butyl-1-ethyl-4,5-dihydroimidazole?
The IUPAC name of 2-butyl-1-ethyl-4,5-dihydroimidazole (CID 139748903) is 2-butyl-1-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-butyl-1-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 2-butyl-1-ethyl-4,5-dihydroimidazole is CCCCC1=NCCN1CC.
What is the InChIKey of 2-butyl-1-ethyl-4,5-dihydroimidazole?
The InChIKey is NTHJDFYFRTVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-6-9-10-7-8-11(9)4-2/h3-8H2,1-2H3.
What are the key properties of 2-butyl-1-ethyl-4,5-dihydroimidazole?
2-butyl-1-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 2-butyl-1-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 139748903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).