Chemical ID: 5569969

CC(=O)Nc1ccc(cc1)C=Cc2[nH]c3ccccc3n2
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

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Descriptor Annotations

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