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Molecule
Bim-1
CAS: 133052-90-1 · C25H24N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 133052-90-1
- Molecular Formula
- C25H24N4O2
- Molecular Mass
- 412.49 g/mol
Identifiers
CAS Registry Number
133052-90-1
SMILES
CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(O)=NC2=O)c2ccccc21
InChI Key
QMGUOJYZJKLOLH-UHFFFAOYSA-N
InChI
InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
Names and Synonyms
- Bim-1 Synonym
- 1H-Pyrrole-2,5-dione, 3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)- Synonym
- 3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione Synonym
- GF 109203X Synonym
- Go 6850 Synonym
- Bisindolylmaleimide I Synonym
- BIM 1 Synonym
- Bis(indolyl)maleimide 1 Synonym
- GF 109203 Synonym
- 3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrol-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 412.49 g/mol | CAS Common Chemistry |
| 412.49300000000017 g/mol | RDKit | |
| 412.493 g/mol | RDKit | |
| 414.509 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/BIM-1 | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)C(C2=CN(C=3C=CC=CC23)CCCN(C)C)=C1C4=CNC=5C=CC=CC54 | CAS Common Chemistry |
| InChI | InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | CAS Common Chemistry |
| InChI Key | InChIKey=QMGUOJYZJKLOLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 280 °C (decomp) | CAS Common Chemistry |
| Name | 3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 73.62 Ų | RDKit |
| 76.67 Ų | chempirical lib | |
| LogP | 4.481800000000003 | RDKit |
| 4.4818 | RDKit | |
| Molar Refractivity | 125.29250000000006 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 412.189926008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 412.49 g/mol. Edit any field — others recompute live.
