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Chemical ID: 4704021
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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