Chemical ID: 4703996

c1ccc(cc1)Cn2c3ccccc3nc2c4cccnc4Cl
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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Descriptor Annotations

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