2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone

C15H18N2O — CID 43797913

IUPAC2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cn2ccnc2C)cc1C
InChIInChI=1S/C15H18N2O/c1-10-7-12(3)14(8-11(10)2)15(18)9-17-6-5-16-13(17)4/h5-8H,9H2,1-4H3
InChIKeyNHWSBXAFTUTCQC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone

2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43797913) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43797913
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cn2ccnc2C)cc1C
InChIInChI=1S/C15H18N2O/c1-10-7-12(3)14(8-11(10)2)15(18)9-17-6-5-16-13(17)4/h5-8H,9H2,1-4H3
InChIKeyNHWSBXAFTUTCQC-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone (CID 43797913) is 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cn2ccnc2C)cc1C.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is NHWSBXAFTUTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-7-12(3)14(8-11(10)2)15(18)9-17-6-5-16-13(17)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone?
2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43797913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).