Chemical ID: 4454169

CCn1c(ccn1)C(=O)Nc2nc3ccccc3n2CCN4CCCCC4
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

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Descriptor Annotations

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