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Chemical ID: 5327627
Chemical ID:
5327627
Name [?]:
4-[4-benzo[1,3]dioxol-5-yl-5-(2-pyridyl)-1H-imidazol-2-yl]benzamide
SMILES [?]:
c1ccnc(c1)c2c(nc([nH]2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,22,23,3,26,28,15,12,21,5,24,25,8,7,18,10,20,4,9,11,19,29,27/E:(4,5)(6,7)/rA:29nCCCNCCCCNCNCCCCCCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s8;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2919 |
Area: | 589.426 |
Solvation: | -4.44379 |
Coulombic: | -65.9031 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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