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Chemical ID: 5569969
Chemical ID:
5569969
Name [?]:
N-[4-[2-(1H-benzoimidazol-2-yl)vinyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C=Cc2[nH]c3ccccc3n2
InChi [?]:
InChI=1/C17H15N3O/c1-12(21)18-14-9-6-13(7-10-14)8-11-17-19-15-4-2-3-5-16(15)20-17/h2-11H,1H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,7,9,11,6,10,12,2,8,5,15,20,13,4,14,21,3/E:(2,3)(4,5)(6,7)(9,10)(15,16)(19,20)/rA:21nCCONCCCCCCCCCNCCCCCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;s15;d16;s17;d18;d15s19;d13s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56342 |
Area: | 462.721 |
Solvation: | -3.00459 |
Coulombic: | -37.0182 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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