2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide

C27H25N3O6 — CID 20852383

IUPAC2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(-c2ccc3c(c2)OCO3)cn(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C27H25N3O6/c1-3-34-23-7-5-4-6-21(23)28-26(31)16-30-22(18-8-13-24-25(14-18)36-17-35-24)15-29(27(30)32)19-9-11-20(33-2)12-10-19/h4-15H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyVSSVNJOXFGVMAN-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.08
Rot. Bonds8

About 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 20852383) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID20852383
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(-c2ccc3c(c2)OCO3)cn(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C27H25N3O6/c1-3-34-23-7-5-4-6-21(23)28-26(31)16-30-22(18-8-13-24-25(14-18)36-17-35-24)15-29(27(30)32)19-9-11-20(33-2)12-10-19/h4-15H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyVSSVNJOXFGVMAN-UHFFFAOYSA-N
XLogP4.08
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide
CID 20852378
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20852382
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 110422203
N-(2-ethoxyphenyl)-2-[7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-[1,3]dioxolo[4,5-g]quinazolin-5-yl]acetamide
CID 52910820
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 1437915
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3224491
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 39915555
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 20852383) is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1c(-c2ccc3c(c2)OCO3)cn(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is VSSVNJOXFGVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-3-34-23-7-5-4-6-21(23)28-26(31)16-30-22(18-8-13-24-25(14-18)36-17-35-24)15-29(27(30)32)19-9-11-20(33-2)12-10-19/h4-15H,3,16-17H2,1-2H3,(H,28,31).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 487.51 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 20852383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).