(2S)-2-methyl-2,4-di(propan-2-yl)imidazole

C10H18N2 — CID 5325305

IUPAC(2S)-2-methyl-2,4-di(propan-2-yl)imidazole
SMILESCC(C)C1=N[C@@](C)(C(C)C)N=C1
InChIInChI=1S/C10H18N2/c1-7(2)9-6-11-10(5,12-9)8(3)4/h6-8H,1-5H3/t10-/m0/s1
InChIKeyXYLOJUZFMFOBSI-JTQLQIEISA-N
MW166.27 g/mol
LogP2.54
Rot. Bonds2

About (2S)-2-methyl-2,4-di(propan-2-yl)imidazole

(2S)-2-methyl-2,4-di(propan-2-yl)imidazole (PubChem CID 5325305) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2S)-2-methyl-2,4-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name(2S)-2-methyl-2,4-di(propan-2-yl)imidazole
PubChem CID5325305
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2S)-2-methyl-2,4-di(propan-2-yl)imidazole
SMILESCC(C)C1=N[C@@](C)(C(C)C)N=C1
InChIInChI=1S/C10H18N2/c1-7(2)9-6-11-10(5,12-9)8(3)4/h6-8H,1-5H3/t10-/m0/s1
InChIKeyXYLOJUZFMFOBSI-JTQLQIEISA-N
XLogP2.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,4-di(propan-2-yl)imidazole?
The IUPAC name of (2S)-2-methyl-2,4-di(propan-2-yl)imidazole (CID 5325305) is (2S)-2-methyl-2,4-di(propan-2-yl)imidazole.
What is the SMILES notation for (2S)-2-methyl-2,4-di(propan-2-yl)imidazole?
The canonical SMILES for (2S)-2-methyl-2,4-di(propan-2-yl)imidazole is CC(C)C1=N[C@@](C)(C(C)C)N=C1.
What is the InChIKey of (2S)-2-methyl-2,4-di(propan-2-yl)imidazole?
The InChIKey is XYLOJUZFMFOBSI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9-6-11-10(5,12-9)8(3)4/h6-8H,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-2,4-di(propan-2-yl)imidazole?
(2S)-2-methyl-2,4-di(propan-2-yl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,4-di(propan-2-yl)imidazole is sourced from PubChem (CID 5325305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).