5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

C24H28N4O4 — CID 4619210

IUPAC5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1C
InChIInChI=1S/C24H28N4O4/c1-14-9-19(16(3)28(14)15(2)13-32-4)22(29)12-27-23(30)21(26-24(27)31)10-17-11-25-20-8-6-5-7-18(17)20/h5-9,11,15,21,25H,10,12-13H2,1-4H3,(H,26,31)
InChIKeySSTMTJUTJBQUAN-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.14
Rot. Bonds8

About 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 4619210) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID4619210
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1C
InChIInChI=1S/C24H28N4O4/c1-14-9-19(16(3)28(14)15(2)13-32-4)22(29)12-27-23(30)21(26-24(27)31)10-17-11-25-20-8-6-5-7-18(17)20/h5-9,11,15,21,25H,10,12-13H2,1-4H3,(H,26,31)
InChIKeySSTMTJUTJBQUAN-UHFFFAOYSA-N
XLogP3.14
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 4619210) is 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is COCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1C.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is SSTMTJUTJBQUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14-9-19(16(3)28(14)15(2)13-32-4)22(29)12-27-23(30)21(26-24(27)31)10-17-11-25-20-8-6-5-7-18(17)20/h5-9,11,15,21,25H,10,12-13H2,1-4H3,(H,26,31).
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 436.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4619210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).