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Chemical ID: 4470277
Chemical ID:
4470277
Name [?]:
N-[4-(1H-benzoimidazol-2-yl)phenyl]-2-(1-naphthyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2CC(=O)Nc3ccc(cc3)c4[nH]c5ccccc5n4
InChi [?]:
InChI=1/C25H19N3O/c29-24(16-19-8-5-7-17-6-1-2-9-21(17)19)26-20-14-12-18(13-15-20)25-27-22-10-3-4-11-23(22)28-25/h1-15H,16H2,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,8,6,7,9,3,24,27,17,19,16,20,11,5,18,10,15,4,23,28,12,21,14,22,29,13/E:(3,4)(10,11)(12,13)(14,15)(22,23)(27,28)/rA:29nCCCCCCCCCCCCONCCCCCCCNCCCCCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;d21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3734 |
Area: | 598.599 |
Solvation: | -3.59158 |
Coulombic: | -39.6281 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 377.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.32 |
LogP (Chemaxon): | 6.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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