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

C15H18N2O2 — CID 43797792

IUPAC1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCOc1cccc(C(=O)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-14(18)12-5-4-6-13(9-12)19-3/h4-9,11H,10H2,1-3H3
InChIKeyIMOZHZXSIGRPBV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds5

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

1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (PubChem CID 43797792) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
PubChem CID43797792
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCOc1cccc(C(=O)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-14(18)12-5-4-6-13(9-12)19-3/h4-9,11H,10H2,1-3H3
InChIKeyIMOZHZXSIGRPBV-UHFFFAOYSA-N
XLogP2.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797826
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
3-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 43290897
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 23408966
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (CID 43797792) is 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is COc1cccc(C(=O)Cn2ccnc2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The InChIKey is IMOZHZXSIGRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-14(18)12-5-4-6-13(9-12)19-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).