3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

C24H22N4O2 — CID 15132380

IUPAC3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCN(C)Cc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)N(C)C2=O)c2ccccc12
InChIInChI=1S/C24H22N4O2/c1-26(2)13-15-14-28(20-11-7-5-8-16(15)20)22-21(23(29)27(3)24(22)30)18-12-25-19-10-6-4-9-17(18)19/h4-12,14,25H,13H2,1-3H3
InChIKeyRNFLHSRXMXTRJU-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.55
Rot. Bonds4

About 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione (PubChem CID 15132380) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
PubChem CID15132380
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCN(C)Cc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)N(C)C2=O)c2ccccc12
InChIInChI=1S/C24H22N4O2/c1-26(2)13-15-14-28(20-11-7-5-8-16(15)20)22-21(23(29)27(3)24(22)30)18-12-25-19-10-6-4-9-17(18)19/h4-12,14,25H,13H2,1-3H3
InChIKeyRNFLHSRXMXTRJU-UHFFFAOYSA-N
XLogP3.55
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione (CID 15132380) is 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione is CN(C)Cc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)N(C)C2=O)c2ccccc12.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is RNFLHSRXMXTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-26(2)13-15-14-28(20-11-7-5-8-16(15)20)22-21(23(29)27(3)24(22)30)18-12-25-19-10-6-4-9-17(18)19/h4-12,14,25H,13H2,1-3H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 398.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 15132380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).