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

C14H28N2 — CID 59616848

IUPAC2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)N1C(C(C)(C)C)=CNC1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(2)16-11(13(3,4)5)9-15-12(16)14(6,7)8/h9-10,12,15H,1-8H3
InChIKeyHFHASMKDPBBKDG-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.56
Rot. Bonds1

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

2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole (PubChem CID 59616848) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole
PubChem CID59616848
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)N1C(C(C)(C)C)=CNC1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(2)16-11(13(3,4)5)9-15-12(16)14(6,7)8/h9-10,12,15H,1-8H3
InChIKeyHFHASMKDPBBKDG-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 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole?
The IUPAC name of 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole (CID 59616848) is 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole is CC(C)N1C(C(C)(C)C)=CNC1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole?
The InChIKey is HFHASMKDPBBKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10(2)16-11(13(3,4)5)9-15-12(16)14(6,7)8/h9-10,12,15H,1-8H3.
What are the key properties of 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole?
2,4-ditert-butyl-3-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 2,4-ditert-butyl-3-propan-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 59616848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).