N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C23H18BrN3O3 — CID 4045289

IUPACN-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1Br
InChIInChI=1S/C23H18BrN3O3/c24-18-13-7-8-14-19(18)25-20(28)15-27-21(29)23(26-22(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,26,30)
InChIKeyKVMXPZUZRCZDOY-UHFFFAOYSA-N
MW464.32 g/mol
LogP3.88
Rot. Bonds5

About N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 4045289) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID4045289
Molecular FormulaC23H18BrN3O3
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC NameN-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1Br
InChIInChI=1S/C23H18BrN3O3/c24-18-13-7-8-14-19(18)25-20(28)15-27-21(29)23(26-22(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,26,30)
InChIKeyKVMXPZUZRCZDOY-UHFFFAOYSA-N
XLogP3.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 4045289) is N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is KVMXPZUZRCZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c24-18-13-7-8-14-19(18)25-20(28)15-27-21(29)23(26-22(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,26,30).
What are the key properties of N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 464.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4045289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).