2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H22BrN3O6 — CID 2584092

IUPAC2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc(OC)c1OC
InChIInChI=1S/C21H22BrN3O6/c1-21(13-7-5-6-8-14(13)22)19(27)25(20(28)24-21)11-17(26)23-12-9-15(29-2)18(31-4)16(10-12)30-3/h5-10H,11H2,1-4H3,(H,23,26)(H,24,28)/t21-/m0/s1
InChIKeyNFOIOFKCRINQLJ-NRFANRHFSA-N
MW492.33 g/mol
LogP2.88
Rot. Bonds7

About 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2584092) has the molecular formula C21H22BrN3O6 and a molecular weight of 492.33 g/mol. Its IUPAC name is 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2584092
Molecular FormulaC21H22BrN3O6
Molecular Weight492.33 g/mol
Exact Mass491.07
IUPAC Name2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc(OC)c1OC
InChIInChI=1S/C21H22BrN3O6/c1-21(13-7-5-6-8-14(13)22)19(27)25(20(28)24-21)11-17(26)23-12-9-15(29-2)18(31-4)16(10-12)30-3/h5-10H,11H2,1-4H3,(H,23,26)(H,24,28)/t21-/m0/s1
InChIKeyNFOIOFKCRINQLJ-NRFANRHFSA-N
XLogP2.88
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2582947
2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 2702725
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885
N-(4-acetamidophenyl)-2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786642
N-(3-acetylphenyl)-2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17498568
N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702611
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 24654212
2-[4-(2-methoxy-5-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 71915404
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584097
methyl 4-[[[2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 47093761
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55304300

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2584092) is 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc(OC)c1OC.
What is the InChIKey of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NFOIOFKCRINQLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22BrN3O6/c1-21(13-7-5-6-8-14(13)22)19(27)25(20(28)24-21)11-17(26)23-12-9-15(29-2)18(31-4)16(10-12)30-3/h5-10H,11H2,1-4H3,(H,23,26)(H,24,28)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 492.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2584092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).