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Chemical ID: 4393588
Chemical ID:
4393588
Name [?]:
2-butyl-1-[(2-chlorophenyl)methyl]benzoimidazole
SMILES [?]:
CCCCc1nc2ccccc2n1Cc3ccccc3Cl
InChi [?]:
InChI=1/C18H19ClN2/c1-2-3-12-18-20-16-10-6-7-11-17(16)21(18)13-14-8-4-5-9-15(14)19/h4-11H,2-3,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,9,10,16,19,8,11,4,14,15,20,7,12,5,21,6,13/rA:21nCCCCCNCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5219 |
Area: | 483.753 |
Solvation: | -1.57188 |
Coulombic: | -15.2282 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.81 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.58 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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