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

C27H25N3O5 — CID 20852382

IUPAC2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C27H25N3O5/c1-17-4-6-20(12-18(17)2)28-26(31)15-30-23(19-5-11-24-25(13-19)35-16-34-24)14-29(27(30)32)21-7-9-22(33-3)10-8-21/h4-14H,15-16H2,1-3H3,(H,28,31)
InChIKeyYDQYYEHIUNSTFY-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.30
Rot. Bonds6

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

2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 20852382) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID20852382
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C27H25N3O5/c1-17-4-6-20(12-18(17)2)28-26(31)15-30-23(19-5-11-24-25(13-19)35-16-34-24)14-29(27(30)32)21-7-9-22(33-3)10-8-21/h4-14H,15-16H2,1-3H3,(H,28,31)
InChIKeyYDQYYEHIUNSTFY-UHFFFAOYSA-N
XLogP4.30
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.30
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-phenylacetamide
CID 20852378
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-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931472
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10744783
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569195
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2038811

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 20852382) is 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is COc1ccc(-n2cc(-c3ccc4c(c3)OCO4)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YDQYYEHIUNSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-4-6-20(12-18(17)2)28-26(31)15-30-23(19-5-11-24-25(13-19)35-16-34-24)14-29(27(30)32)21-7-9-22(33-3)10-8-21/h4-14H,15-16H2,1-3H3,(H,28,31).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 471.51 g/mol, XLogP of 4.30, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 20852382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).