1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C19H15N3O5 — CID 2572518

IUPAC1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H15N3O5/c1-11-16(13-6-2-3-7-14(13)20-11)15(23)10-22-18(25)17(24)21(19(22)26)9-12-5-4-8-27-12/h2-8,20H,9-10H2,1H3
InChIKeyPBGJYAKYWISRRO-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.24
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 2572518) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID2572518
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H15N3O5/c1-11-16(13-6-2-3-7-14(13)20-11)15(23)10-22-18(25)17(24)21(19(22)26)9-12-5-4-8-27-12/h2-8,20H,9-10H2,1H3
InChIKeyPBGJYAKYWISRRO-UHFFFAOYSA-N
XLogP2.24
TPSA103.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
(3aS,7aS)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2442421
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880189
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 9320637
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 16586815
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374600
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 2572518) is 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is PBGJYAKYWISRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-11-16(13-6-2-3-7-14(13)20-11)15(23)10-22-18(25)17(24)21(19(22)26)9-12-5-4-8-27-12/h2-8,20H,9-10H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 365.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2572518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).