Chemical ID: 7409463

CCN1C=CC(=C2N=c3ccccc3=N2)c4c1cccc4
Chemical ID:
7409463
Name [?]:
4-benzoimidazol-2-ylidene-1-ethyl-quinoline
SMILES [?]:
CCN1C=CC(=C2N=c3ccccc3=N2)c4c1cccc4
InChi [?]:
InChI=1/C18H15N3/c1-2-21-12-11-14(13-7-3-6-10-17(13)21)18-19-15-8-4-5-9-16(15)20-18/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,11,12,19,21,10,13,18,5,4,16,6,9,14,17,7,8,15,3/E:(4,5)(8,9)(15,16)(19,20)/rA:21nCCNCCCCNCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s7d14;s6;s3s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.85078
Area:458.4
Solvation:-1.60923
Coulombic:-19.9465
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:273.332
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):4.14

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Experimental Annotations

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Descriptor Annotations

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