(2S)-2,4-ditert-butyl-2-methylimidazole

C12H22N2 — CID 5325307

IUPAC(2S)-2,4-ditert-butyl-2-methylimidazole
SMILESCC(C)(C)C1=N[C@@](C)(C(C)(C)C)N=C1
InChIInChI=1S/C12H22N2/c1-10(2,3)9-8-13-12(7,14-9)11(4,5)6/h8H,1-7H3/t12-/m0/s1
InChIKeyPBCDKGSWSLNASB-LBPRGKRZSA-N
MW194.32 g/mol
LogP3.32
Rot. Bonds

About (2S)-2,4-ditert-butyl-2-methylimidazole

(2S)-2,4-ditert-butyl-2-methylimidazole (PubChem CID 5325307) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S)-2,4-ditert-butyl-2-methylimidazole.

Molecular Properties

Compound Name(2S)-2,4-ditert-butyl-2-methylimidazole
PubChem CID5325307
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2S)-2,4-ditert-butyl-2-methylimidazole
SMILESCC(C)(C)C1=N[C@@](C)(C(C)(C)C)N=C1
InChIInChI=1S/C12H22N2/c1-10(2,3)9-8-13-12(7,14-9)11(4,5)6/h8H,1-7H3/t12-/m0/s1
InChIKeyPBCDKGSWSLNASB-LBPRGKRZSA-N
XLogP3.32
TPSA24.72 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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-ditert-butyl-2-methylimidazole?
The IUPAC name of (2S)-2,4-ditert-butyl-2-methylimidazole (CID 5325307) is (2S)-2,4-ditert-butyl-2-methylimidazole.
What is the SMILES notation for (2S)-2,4-ditert-butyl-2-methylimidazole?
The canonical SMILES for (2S)-2,4-ditert-butyl-2-methylimidazole is CC(C)(C)C1=N[C@@](C)(C(C)(C)C)N=C1.
What is the InChIKey of (2S)-2,4-ditert-butyl-2-methylimidazole?
The InChIKey is PBCDKGSWSLNASB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2,3)9-8-13-12(7,14-9)11(4,5)6/h8H,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-2,4-ditert-butyl-2-methylimidazole?
(2S)-2,4-ditert-butyl-2-methylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-ditert-butyl-2-methylimidazole is sourced from PubChem (CID 5325307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).