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Chemical ID: 4454169
Chemical ID:
4454169
Name [?]:
2-ethyl-N-[1-[2-(1-piperidyl)ethyl]benzoimidazol-2-yl]-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(ccn1)C(=O)Nc2nc3ccccc3n2CCN4CCCCC4
InChi [?]:
InChI=1/C20H26N6O/c1-2-26-18(10-11-21-26)19(27)23-20-22-16-8-4-5-9-17(16)25(20)15-14-24-12-6-3-7-13-24/h4-5,8-11H,2-3,6-7,12-15H2,1H3,(H,22,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,15,16,24,26,14,17,5,6,23,27,21,20,13,18,4,8,11,7,12,10,22,19,3,9/E:(6,7)(12,13)/rA:27nCCNCCCNCONCNCCCCCCNCCNCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s4;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s19;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N6O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.772 |
Area: | 593.85 |
Solvation: | -4.07424 |
Coulombic: | -42.6568 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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