[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate

C22H22N2O6 — CID 140602615

IUPAC[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC1=CN(C(=O)c2ccccc2OC)C(C(C)=O)N1
InChIInChI=1S/C22H22N2O6/c1-14(25)20-23-15(13-30-22(27)17-9-5-7-11-19(17)29-3)12-24(20)21(26)16-8-4-6-10-18(16)28-2/h4-12,20,23H,13H2,1-3H3
InChIKeyHEDXDHIEMORPGC-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.36
Rot. Bonds7

About [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate

[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate (PubChem CID 140602615) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate.

Molecular Properties

Compound Name[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate
PubChem CID140602615
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC1=CN(C(=O)c2ccccc2OC)C(C(C)=O)N1
InChIInChI=1S/C22H22N2O6/c1-14(25)20-23-15(13-30-22(27)17-9-5-7-11-19(17)29-3)12-24(20)21(26)16-8-4-6-10-18(16)28-2/h4-12,20,23H,13H2,1-3H3
InChIKeyHEDXDHIEMORPGC-UHFFFAOYSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate with MolForge

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Related Compounds

(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-oxoethyl 2-methoxybenzoate
CID 87871956
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 2-methoxybenzoate
CID 101152308
5-(aminomethyl)-2-(2-methoxybenzoyl)-1H-pyrazol-3-one
CID 112536453
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
ethane;methyl 2-methoxybenzoate
CID 178037044
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934

Frequently Asked Questions

What is the IUPAC name of [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate?
The IUPAC name of [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate (CID 140602615) is [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate.
What is the SMILES notation for [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate?
The canonical SMILES for [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCC1=CN(C(=O)c2ccccc2OC)C(C(C)=O)N1.
What is the InChIKey of [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate?
The InChIKey is HEDXDHIEMORPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14(25)20-23-15(13-30-22(27)17-9-5-7-11-19(17)29-3)12-24(20)21(26)16-8-4-6-10-18(16)28-2/h4-12,20,23H,13H2,1-3H3.
What are the key properties of [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate?
[2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate has a molecular weight of 410.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyl-3-(2-methoxybenzoyl)-1,2-dihydroimidazol-5-yl]methyl 2-methoxybenzoate is sourced from PubChem (CID 140602615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).