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

C25H21N3O5 — CID 20852378

IUPAC2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H21N3O5/c1-31-20-10-8-19(9-11-20)27-14-21(17-7-12-22-23(13-17)33-16-32-22)28(25(27)30)15-24(29)26-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyHRSOIQQLWOZONX-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.68
Rot. Bonds6

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

2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide (PubChem CID 20852378) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide
PubChem CID20852378
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H21N3O5/c1-31-20-10-8-19(9-11-20)27-14-21(17-7-12-22-23(13-17)33-16-32-22)28(25(27)30)15-24(29)26-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyHRSOIQQLWOZONX-UHFFFAOYSA-N
XLogP3.68
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20852382
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 20852383
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 30935640
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569195
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide (CID 20852378) is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide is COc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide?
The InChIKey is HRSOIQQLWOZONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-31-20-10-8-19(9-11-20)27-14-21(17-7-12-22-23(13-17)33-16-32-22)28(25(27)30)15-24(29)26-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide?
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-phenylacetamide has a molecular weight of 443.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-phenylacetamide is sourced from PubChem (CID 20852378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).