1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone

C12H12N2O — CID 39805487

IUPAC1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(C)[nH]2)c1
InChIInChI=1S/C12H12N2O/c1-8(15)10-4-3-5-11(6-10)12-7-13-9(2)14-12/h3-7H,1-2H3,(H,13,14)
InChIKeyUUOMWPLOJNMQJL-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.59
Rot. Bonds2

About 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone

1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone (PubChem CID 39805487) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
PubChem CID39805487
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(C)[nH]2)c1
InChIInChI=1S/C12H12N2O/c1-8(15)10-4-3-5-11(6-10)12-7-13-9(2)14-12/h3-7H,1-2H3,(H,13,14)
InChIKeyUUOMWPLOJNMQJL-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone (CID 39805487) is 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cnc(C)[nH]2)c1.
What is the InChIKey of 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone?
The InChIKey is UUOMWPLOJNMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)10-4-3-5-11(6-10)12-7-13-9(2)14-12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone?
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 39805487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).