3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole

C14H28N2 — CID 59616731

IUPAC3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)C1=C(C(C)(C)C)NCN1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(2)11-12(13(3,4)5)15-9-16(11)14(6,7)8/h10,15H,9H2,1-8H3
InChIKeySEOSMVVKPXLOEH-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.56
Rot. Bonds1

About 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole

3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole (PubChem CID 59616731) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole
PubChem CID59616731
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)C1=C(C(C)(C)C)NCN1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(2)11-12(13(3,4)5)15-9-16(11)14(6,7)8/h10,15H,9H2,1-8H3
InChIKeySEOSMVVKPXLOEH-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole?
The IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole (CID 59616731) is 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole is CC(C)C1=C(C(C)(C)C)NCN1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole?
The InChIKey is SEOSMVVKPXLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10(2)11-12(13(3,4)5)15-9-16(11)14(6,7)8/h10,15H,9H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole?
3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole has a molecular weight of 224.39 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-propan-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 59616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).