Chemical ID: 4704021

Cc1ccc(cc1)Cn2c3ccccc3nc2c4cccnc4Cl
Chemical ID:
4704021
Name [?]:
2-(2-chloro-3-pyridyl)-1-(p-tolylmethyl)benzoimidazole
SMILES [?]:
Cc1ccc(cc1)Cn2c3ccccc3nc2c4cccnc4Cl
InChi [?]:
InChI=1/C20H16ClN3/c1-14-8-10-15(11-9-14)13-24-18-7-3-2-6-17(18)23-20(24)16-5-4-12-22-19(16)21/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,20,19,14,11,3,7,4,6,21,8,2,5,18,15,10,23,17,24,22,16,9/E:(8,9)(10,11)/rA:24nCCCCCCCCNCCCCCCNCCCCCNCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16ClN3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4397
Area:511.261
Solvation:-2.34178
Coulombic:-20.6698
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:333.814
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.18
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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