ChemDB: Chemical Search
Download
Chemical ID: 4626121
Chemical ID:
4626121
Name [?]:
1-(2-furyl)-2-(2-imino-3-propyl-benzoimidazol-1-yl)-ethanone
SMILES [?]:
CCCn1c2ccccc2n(c1=N)CC(=O)c3ccco3
InChi [?]:
InChI=1/C16H17N3O2/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15/h3-8,10,17H,2,9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,19,6,9,18,3,20,14,5,10,15,17,12,13,4,11,16,21/rA:21nCCCNCCCCCCNCNCCOCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s11;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43781 |
Area: | 484.771 |
Solvation: | -3.68147 |
Coulombic: | -41.2605 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.54 |
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 |
---|