5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

C21H18BrN3O3 — CID 4804402

IUPAC5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C21H18BrN3O3/c1-12-18(15-8-3-4-9-16(15)23-12)17(26)11-25-19(27)21(2,24-20(25)28)13-6-5-7-14(22)10-13/h3-10,23H,11H2,1-2H3,(H,24,28)
InChIKeyDKVGOUYMZKBBLI-UHFFFAOYSA-N
MW440.30 g/mol
LogP3.89
Rot. Bonds4

About 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 4804402) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID4804402
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C21H18BrN3O3/c1-12-18(15-8-3-4-9-16(15)23-12)17(26)11-25-19(27)21(2,24-20(25)28)13-6-5-7-14(22)10-13/h3-10,23H,11H2,1-2H3,(H,24,28)
InChIKeyDKVGOUYMZKBBLI-UHFFFAOYSA-N
XLogP3.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 53.89
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

(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 40745114
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595995
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60597012
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 2112150
5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 154775292
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
CID 43032745
N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081712

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 4804402) is 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is DKVGOUYMZKBBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-12-18(15-8-3-4-9-16(15)23-12)17(26)11-25-19(27)21(2,24-20(25)28)13-6-5-7-14(22)10-13/h3-10,23H,11H2,1-2H3,(H,24,28).
What are the key properties of 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 440.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4804402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).