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Chemical ID: 5430025
Chemical ID:
5430025
Name [?]:
N-[2-[1-(o-tolylmethyl)benzoimidazol-2-yl]ethyl]acetamide
SMILES [?]:
Cc1ccccc1Cn2c3ccccc3nc2CCNC(=O)C
InChi [?]:
InChI=1/C19H21N3O/c1-14-7-3-4-8-16(14)13-22-18-10-6-5-9-17(18)21-19(22)11-12-20-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,4,5,13,12,3,6,14,11,18,19,8,2,21,7,15,10,17,20,16,9,22/rA:23nCCCCCCCCNCCCCCCNCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3807 |
Area: | 532.491 |
Solvation: | -2.93161 |
Coulombic: | -33.0108 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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