2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide

C26H23Cl2N3O3 — CID 2470081

IUPAC2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)Nc3c(Cl)ccc(C)c3Cl)C2=O)cc1
InChIInChI=1S/C26H23Cl2N3O3/c1-15-4-9-18(10-5-15)26(19-11-6-16(2)7-12-19)24(33)31(25(34)30-26)14-21(32)29-23-20(27)13-8-17(3)22(23)28/h4-13H,14H2,1-3H3,(H,29,32)(H,30,34)
InChIKeySHDLBSQVSVRRRB-UHFFFAOYSA-N
MW496.39 g/mol
LogP5.35
Rot. Bonds5

About 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide

2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 2470081) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID2470081
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)Nc3c(Cl)ccc(C)c3Cl)C2=O)cc1
InChIInChI=1S/C26H23Cl2N3O3/c1-15-4-9-18(10-5-15)26(19-11-6-16(2)7-12-19)24(33)31(25(34)30-26)14-21(32)29-23-20(27)13-8-17(3)22(23)28/h4-13H,14H2,1-3H3,(H,29,32)(H,30,34)
InChIKeySHDLBSQVSVRRRB-UHFFFAOYSA-N
XLogP5.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4880285
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 2089214
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2708283
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7952417
N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660284
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 3950576
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 55463912
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 2470081) is 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)Nc3c(Cl)ccc(C)c3Cl)C2=O)cc1.
What is the InChIKey of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is SHDLBSQVSVRRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c1-15-4-9-18(10-5-15)26(19-11-6-16(2)7-12-19)24(33)31(25(34)30-26)14-21(32)29-23-20(27)13-8-17(3)22(23)28/h4-13H,14H2,1-3H3,(H,29,32)(H,30,34).
What are the key properties of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 496.39 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 2470081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).