ChemDB: Chemical Search
Download
Chemical ID: 6239594
Chemical ID:
6239594
Name [?]:
3-methyl-N-[2-(1-propylbenzoimidazol-2-yl)ethyl]benzamide
SMILES [?]:
CCCn1c2ccccc2nc1CCNC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C20H23N3O/c1-3-13-23-18-10-5-4-9-17(18)22-19(23)11-12-21-20(24)16-8-6-7-15(2)14-16/h4-10,14H,3,11-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,8,7,20,21,19,9,6,13,14,3,23,22,18,10,5,12,16,15,11,4,17/rA:24nCCCNCCCCCCNCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4766 |
Area: | 561.238 |
Solvation: | -2.55437 |
Coulombic: | -35.421 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|