4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole

C11H22N2 — CID 89007274

IUPAC4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole
SMILESCCC1=C(C(C)(C)C)N(CC)CN1
InChIInChI=1S/C11H22N2/c1-6-9-10(11(3,4)5)13(7-2)8-12-9/h12H,6-8H2,1-5H3
InChIKeyFKVORDVWZBJMAR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.54
Rot. Bonds2

About 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole

4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole (PubChem CID 89007274) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole
PubChem CID89007274
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole
SMILESCCC1=C(C(C)(C)C)N(CC)CN1
InChIInChI=1S/C11H22N2/c1-6-9-10(11(3,4)5)13(7-2)8-12-9/h12H,6-8H2,1-5H3
InChIKeyFKVORDVWZBJMAR-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole?
The IUPAC name of 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole (CID 89007274) is 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole.
What is the SMILES notation for 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole?
The canonical SMILES for 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole is CCC1=C(C(C)(C)C)N(CC)CN1.
What is the InChIKey of 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole?
The InChIKey is FKVORDVWZBJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-9-10(11(3,4)5)13(7-2)8-12-9/h12H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole?
4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole has a molecular weight of 182.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-diethyl-1,2-dihydroimidazole is sourced from PubChem (CID 89007274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).