Chemical ID: 5327627

c1ccnc(c1)c2c(nc([nH]2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5
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

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Descriptor Annotations

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