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

C9H18N2 — CID 89354240

IUPAC2-tert-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCN1CCN=C1C(C)(C)C
InChIInChI=1S/C9H18N2/c1-5-11-7-6-10-8(11)9(2,3)4/h5-7H2,1-4H3
InChIKeyBNFLDCDUJAUKRI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.77
Rot. Bonds1

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

2-tert-butyl-1-ethyl-4,5-dihydroimidazole (PubChem CID 89354240) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-4,5-dihydroimidazole
PubChem CID89354240
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-tert-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCN1CCN=C1C(C)(C)C
InChIInChI=1S/C9H18N2/c1-5-11-7-6-10-8(11)9(2,3)4/h5-7H2,1-4H3
InChIKeyBNFLDCDUJAUKRI-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The IUPAC name of 2-tert-butyl-1-ethyl-4,5-dihydroimidazole (CID 89354240) is 2-tert-butyl-1-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 2-tert-butyl-1-ethyl-4,5-dihydroimidazole is CCN1CCN=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The InChIKey is BNFLDCDUJAUKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-7-6-10-8(11)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-ethyl-4,5-dihydroimidazole?
2-tert-butyl-1-ethyl-4,5-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 89354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).