1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide

C21H23BrN2O2 — CID 173199117

IUPAC1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
SMILESBr.Cc1ccc(C(=O)CN2C=CN(CC(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H22N2O2.BrH/c1-16-3-7-18(8-4-16)20(24)13-22-11-12-23(15-22)14-21(25)19-9-5-17(2)6-10-19;/h3-12H,13-15H2,1-2H3;1H
InChIKeyJWJSAXUBVRPRSL-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide

1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide (PubChem CID 173199117) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
PubChem CID173199117
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
SMILESBr.Cc1ccc(C(=O)CN2C=CN(CC(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H22N2O2.BrH/c1-16-3-7-18(8-4-16)20(24)13-22-11-12-23(15-22)14-21(25)19-9-5-17(2)6-10-19;/h3-12H,13-15H2,1-2H3;1H
InChIKeyJWJSAXUBVRPRSL-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
CID 173395049
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-(4-butylphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydroiodide
CID 173395050
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 59742701
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide?
The IUPAC name of 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide (CID 173199117) is 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide?
The canonical SMILES for 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide is Br.Cc1ccc(C(=O)CN2C=CN(CC(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide?
The InChIKey is JWJSAXUBVRPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.BrH/c1-16-3-7-18(8-4-16)20(24)13-22-11-12-23(15-22)14-21(25)19-9-5-17(2)6-10-19;/h3-12H,13-15H2,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide?
1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide has a molecular weight of 415.33 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide is sourced from PubChem (CID 173199117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).