1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide

C14H19BrN2O2 — CID 173395195

IUPAC1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
SMILESBr.CCOc1ccc(C(=O)CN2C=CN(C)C2)cc1
InChIInChI=1S/C14H18N2O2.BrH/c1-3-18-13-6-4-12(5-7-13)14(17)10-16-9-8-15(2)11-16;/h4-9H,3,10-11H2,1-2H3;1H
InChIKeyQBDMDBMFNYYZQE-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide

1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide (PubChem CID 173395195) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
PubChem CID173395195
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
SMILESBr.CCOc1ccc(C(=O)CN2C=CN(C)C2)cc1
InChIInChI=1S/C14H18N2O2.BrH/c1-3-18-13-6-4-12(5-7-13)14(17)10-16-9-8-15(2)11-16;/h4-9H,3,10-11H2,1-2H3;1H
InChIKeyQBDMDBMFNYYZQE-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
CID 173199117
2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
CID 173395049
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619
2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 62123584
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide (CID 173395195) is 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide is Br.CCOc1ccc(C(=O)CN2C=CN(C)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The InChIKey is QBDMDBMFNYYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.BrH/c1-3-18-13-6-4-12(5-7-13)14(17)10-16-9-8-15(2)11-16;/h4-9H,3,10-11H2,1-2H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide has a molecular weight of 327.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 173395195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).