3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C26H25N3O3 — CID 5327931

IUPAC3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)
InChIKeyBSBODCATJMRXPP-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.86
Rot. Bonds7

About 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327931) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327931
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)
InChIKeyBSBODCATJMRXPP-UHFFFAOYSA-N
XLogP3.86
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327931) is 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(CCCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is BSBODCATJMRXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32).
What are the key properties of 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 427.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-hydroxypentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).