2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone

C12H12N2O2 — CID 43162818

IUPAC2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-9(11)10(15)8-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRHFGCPGYTGIKNC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone

2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 43162818) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID43162818
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-9(11)10(15)8-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRHFGCPGYTGIKNC-UHFFFAOYSA-N
XLogP1.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone (CID 43162818) is 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)Cc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is RHFGCPGYTGIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-9(11)10(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-(2-methoxyphenyl)ethanone?
2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 43162818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).