1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one

C15H18N2O — CID 116880786

IUPAC1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O/c1-9-5-10(2)15(11(3)6-9)13-8-16-14(17-13)7-12(4)18/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyWGRRXUOPRHIHIM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one

1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one (PubChem CID 116880786) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
PubChem CID116880786
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O/c1-9-5-10(2)15(11(3)6-9)13-8-16-14(17-13)7-12(4)18/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyWGRRXUOPRHIHIM-UHFFFAOYSA-N
XLogP3.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one (CID 116880786) is 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one is CC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1.
What is the InChIKey of 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The InChIKey is WGRRXUOPRHIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-5-10(2)15(11(3)6-9)13-8-16-14(17-13)7-12(4)18/h5-6,8H,7H2,1-4H3,(H,16,17).
What are the key properties of 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one is sourced from PubChem (CID 116880786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).