Back to Search
Bim-1
CAS: 133052-90-1 | C25H24N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
133052-90-1
Molecular Formula:
C25H24N4O2
Molecular Mass:
412.49 g/mol
Names and Synonyms:
Bim-1
1H-Pyrrole-2,5-dione, 3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-
3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
GF 109203X
Go 6850
Bisindolylmaleimide I
BIM 1
Bis(indolyl)maleimide 1
GF 109203
3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrol-2,5-dione
Identifiers:
SMILES:
CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(O)=NC2=O)c2ccccc21
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)
Key Properties
Melting Point
280 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 412.49 g/mol | CAS Common Chemistry |
| 412.49300000000017 g/mol | RDKit | |
| 412.189926008 g/mol | RDKit | |
| 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 |
| BIM-1 | CAS Common Chemistry | |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 73.62 Ų | RDKit |
| LogP | 4.481800000000003 | RDKit |
| Molar Refractivity | 125.29250000000006 | RDKit |
