1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one

C13H22N2O — CID 13269102

IUPAC1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)Cn1ccnc1
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-13(4,5)11(16)8-15-7-6-14-10-15/h6-7,10H,8-9H2,1-5H3
InChIKeyUBIKBHCJXHJVBU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.91
Rot. Bonds4

About 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one

1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one (PubChem CID 13269102) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one.

Molecular Properties

Compound Name1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
PubChem CID13269102
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)Cn1ccnc1
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-13(4,5)11(16)8-15-7-6-14-10-15/h6-7,10H,8-9H2,1-5H3
InChIKeyUBIKBHCJXHJVBU-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
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1-(11,11-dimethyldodecyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one?
The IUPAC name of 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one (CID 13269102) is 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one.
What is the SMILES notation for 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one?
The canonical SMILES for 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one is CC(C)(C)CC(C)(C)C(=O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one?
The InChIKey is UBIKBHCJXHJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,3)9-13(4,5)11(16)8-15-7-6-14-10-15/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one?
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one is sourced from PubChem (CID 13269102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).