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

C21H18FN3O3 — CID 60597012

IUPAC5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2ccccc2F)C1=O
InChIInChI=1S/C21H18FN3O3/c1-12-18(13-7-3-6-10-16(13)23-12)17(26)11-25-19(27)21(2,24-20(25)28)14-8-4-5-9-15(14)22/h3-10,23H,11H2,1-2H3,(H,24,28)
InChIKeyCNGMZUBDQOPPOD-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.27
Rot. Bonds4

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

5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60597012) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60597012
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2ccccc2F)C1=O
InChIInChI=1S/C21H18FN3O3/c1-12-18(13-7-3-6-10-16(13)23-12)17(26)11-25-19(27)21(2,24-20(25)28)14-8-4-5-9-15(14)22/h3-10,23H,11H2,1-2H3,(H,24,28)
InChIKeyCNGMZUBDQOPPOD-UHFFFAOYSA-N
XLogP3.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.27
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-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 2112150
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 40745114
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
(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-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 4804402
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565739
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60597012) is 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-fluorophenyl)-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)(c2ccccc2F)C1=O.
What is the InChIKey of 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is CNGMZUBDQOPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-12-18(13-7-3-6-10-16(13)23-12)17(26)11-25-19(27)21(2,24-20(25)28)14-8-4-5-9-15(14)22/h3-10,23H,11H2,1-2H3,(H,24,28).
What are the key properties of 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 379.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).