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Chemical ID: 4703996
Chemical ID:
4703996
Name [?]:
1-benzyl-2-(2-chloro-3-pyridyl)-benzoimidazole
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3nc2c4cccnc4Cl
InChi [?]:
InChI=1/C19H14ClN3/c20-18-15(9-6-12-21-18)19-22-16-10-4-5-11-17(16)23(19)13-14-7-2-1-3-8-14/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,19,3,5,18,13,10,20,7,4,17,14,9,22,16,23,21,15,8/E:(2,3)(7,8)/rA:23nCCCCCCCNCCCCCCNCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClN3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90779 |
Area: | 488.64 |
Solvation: | -2.3082 |
Coulombic: | -20.9284 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.787 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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