2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone

C12H12N2O — CID 6481678

IUPAC2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)11(15)8-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyXFGFWLYWGWKWII-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.14
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone

2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone (PubChem CID 6481678) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone
PubChem CID6481678
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)11(15)8-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyXFGFWLYWGWKWII-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone (CID 6481678) is 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is XFGFWLYWGWKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)11(15)8-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone?
2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 6481678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).