3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

C28H22N4O2 — CID 155534982

IUPAC3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27-25(22-11-5-8-19-7-1-2-9-20(19)22)26(28(34)30-27)23-17-32(24-12-4-3-10-21(23)24)15-6-14-31-16-13-29-18-31/h1-5,7-13,16-18H,6,14-15H2,(H,30,33,34)
InChIKeyVYKBIVPSHFCDCK-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.65
Rot. Bonds6

About 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 155534982) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID155534982
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27-25(22-11-5-8-19-7-1-2-9-20(19)22)26(28(34)30-27)23-17-32(24-12-4-3-10-21(23)24)15-6-14-31-16-13-29-18-31/h1-5,7-13,16-18H,6,14-15H2,(H,30,33,34)
InChIKeyVYKBIVPSHFCDCK-UHFFFAOYSA-N
XLogP4.65
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloroanilino)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 70204959
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-[4-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 70205687
3-[5-bromo-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 155523310
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
CID 69374015
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-[1-[3-(5-methylimidazol-1-yl)propyl]indol-3-yl]-4-(3-nitrophenyl)pyrrole-2,5-dione
CID 177378616
1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
CID 107919030
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (CID 155534982) is 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1cccc2ccccc12.
What is the InChIKey of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is VYKBIVPSHFCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c33-27-25(22-11-5-8-19-7-1-2-9-20(19)22)26(28(34)30-27)23-17-32(24-12-4-3-10-21(23)24)15-6-14-31-16-13-29-18-31/h1-5,7-13,16-18H,6,14-15H2,(H,30,33,34).
What are the key properties of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 446.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 155534982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).