1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

C15H17BrN2O2 — CID 43797796

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2ccnc2C(C)C)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(2)15-17-6-7-18(15)9-13(19)11-4-5-14(20-3)12(16)8-11/h4-8,10H,9H2,1-3H3
InChIKeyAJJIPKHWXVWHOG-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (PubChem CID 43797796) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
PubChem CID43797796
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2ccnc2C(C)C)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(2)15-17-6-7-18(15)9-13(19)11-4-5-14(20-3)12(16)8-11/h4-8,10H,9H2,1-3H3
InChIKeyAJJIPKHWXVWHOG-UHFFFAOYSA-N
XLogP3.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797792
1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797826
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161769
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
5-(3-bromo-4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 55155396
1-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]piperidin-4-one
CID 62050465
1-(3-bromo-4-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 47290066
1-(3-bromo-4-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 43796996

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (CID 43797796) is 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is COc1ccc(C(=O)Cn2ccnc2C(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The InChIKey is AJJIPKHWXVWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)15-17-6-7-18(15)9-13(19)11-4-5-14(20-3)12(16)8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone has a molecular weight of 337.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).