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

C20H20BrN3O4 — CID 4875840

IUPAC2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C20H20BrN3O4/c1-20(14-4-3-5-15(21)10-14)18(26)24(19(27)23-20)12-17(25)22-11-13-6-8-16(28-2)9-7-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyUKTANIMWGGFUBS-UHFFFAOYSA-N
MW446.30 g/mol
LogP2.54
Rot. Bonds6

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

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 4875840) has the molecular formula C20H20BrN3O4 and a molecular weight of 446.30 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID4875840
Molecular FormulaC20H20BrN3O4
Molecular Weight446.30 g/mol
Exact Mass445.06
IUPAC Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C20H20BrN3O4/c1-20(14-4-3-5-15(21)10-14)18(26)24(19(27)23-20)12-17(25)22-11-13-6-8-16(28-2)9-7-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyUKTANIMWGGFUBS-UHFFFAOYSA-N
XLogP2.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 4875840) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is UKTANIMWGGFUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4/c1-20(14-4-3-5-15(21)10-14)18(26)24(19(27)23-20)12-17(25)22-11-13-6-8-16(28-2)9-7-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 446.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4875840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).