Chemical ID: 5654140

CCn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccc(cc3)OC
Chemical ID:
5654140
Name [?]:
[1-ethyl-3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-benzoimidazol-2-ylidene]ammonium
SMILES [?]:
CCn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19N3O2/c1-3-20-15-6-4-5-7-16(15)21(18(20)19)12-17(22)13-8-10-14(23-2)11-9-13/h4-11,19H,3,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,23,2,6,7,5,8,17,21,18,20,13,16,19,4,9,14,11,12,3,10,15,22/E:(8,9)(10,11)/rA:23nCCNCCCCCCNCN+CCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N3O2+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-27.4248
Area:515.245
Solvation:-40.3059
Coulombic:-31.1315
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.37
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):3.87

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Descriptor Annotations

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