1,3-ditert-butyl-2-methylideneimidazole

C12H22N2 — CID 91401003

IUPAC1,3-ditert-butyl-2-methylideneimidazole
SMILESC=C1N(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10-13(11(2,3)4)8-9-14(10)12(5,6)7/h8-9H,1H2,2-7H3
InChIKeyJLKPHTNQSUBMFU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds

About 1,3-ditert-butyl-2-methylideneimidazole

1,3-ditert-butyl-2-methylideneimidazole (PubChem CID 91401003) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-methylideneimidazole.

Molecular Properties

Compound Name1,3-ditert-butyl-2-methylideneimidazole
PubChem CID91401003
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,3-ditert-butyl-2-methylideneimidazole
SMILESC=C1N(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10-13(11(2,3)4)8-9-14(10)12(5,6)7/h8-9H,1H2,2-7H3
InChIKeyJLKPHTNQSUBMFU-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
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-2-methylideneimidazole?
The IUPAC name of 1,3-ditert-butyl-2-methylideneimidazole (CID 91401003) is 1,3-ditert-butyl-2-methylideneimidazole.
What is the SMILES notation for 1,3-ditert-butyl-2-methylideneimidazole?
The canonical SMILES for 1,3-ditert-butyl-2-methylideneimidazole is C=C1N(C(C)(C)C)C=CN1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2-methylideneimidazole?
The InChIKey is JLKPHTNQSUBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-13(11(2,3)4)8-9-14(10)12(5,6)7/h8-9H,1H2,2-7H3.
What are the key properties of 1,3-ditert-butyl-2-methylideneimidazole?
1,3-ditert-butyl-2-methylideneimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.14, 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-2-methylideneimidazole is sourced from PubChem (CID 91401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).