2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide

C14H19BrN2O — CID 173395049

IUPAC2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
SMILESBr.CCN1C=CN(CC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O.BrH/c1-3-15-8-9-16(11-15)10-14(17)13-6-4-12(2)5-7-13;/h4-9H,3,10-11H2,1-2H3;1H
InChIKeyYGCBPZNTLFWBNZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.82
Rot. Bonds4

About 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide

2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide (PubChem CID 173395049) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
PubChem CID173395049
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
SMILESBr.CCN1C=CN(CC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O.BrH/c1-3-15-8-9-16(11-15)10-14(17)13-6-4-12(2)5-7-13;/h4-9H,3,10-11H2,1-2H3;1H
InChIKeyYGCBPZNTLFWBNZ-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
CID 173199117
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-butylphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydroiodide
CID 173395050
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
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
acetic acid;1-butyl-3-ethyl-2H-imidazole
CID 175549883

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide (CID 173395049) is 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide is Br.CCN1C=CN(CC(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The InChIKey is YGCBPZNTLFWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.BrH/c1-3-15-8-9-16(11-15)10-14(17)13-6-4-12(2)5-7-13;/h4-9H,3,10-11H2,1-2H3;1H.
What are the key properties of 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide has a molecular weight of 311.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-imidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 173395049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).