1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole

C16H30N2 — CID 132571213

IUPAC1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole
SMILESCC(C)=C1N(C(C)(C)C)C(C)=C(C)N1C(C)(C)C
InChIInChI=1S/C16H30N2/c1-11(2)14-17(15(5,6)7)12(3)13(4)18(14)16(8,9)10/h1-10H3
InChIKeyQLQRKCFKYWFGGZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.70
Rot. Bonds

About 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole

1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole (PubChem CID 132571213) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole.

Molecular Properties

Compound Name1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole
PubChem CID132571213
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole
SMILESCC(C)=C1N(C(C)(C)C)C(C)=C(C)N1C(C)(C)C
InChIInChI=1S/C16H30N2/c1-11(2)14-17(15(5,6)7)12(3)13(4)18(14)16(8,9)10/h1-10H3
InChIKeyQLQRKCFKYWFGGZ-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole?
The IUPAC name of 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole (CID 132571213) is 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole.
What is the SMILES notation for 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole?
The canonical SMILES for 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole is CC(C)=C1N(C(C)(C)C)C(C)=C(C)N1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole?
The InChIKey is QLQRKCFKYWFGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11(2)14-17(15(5,6)7)12(3)13(4)18(14)16(8,9)10/h1-10H3.
What are the key properties of 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole?
1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole has a molecular weight of 250.43 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-4,5-dimethyl-2-propan-2-ylideneimidazole is sourced from PubChem (CID 132571213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).