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Chemical ID: 4500172
Chemical ID:
4500172
Name [?]:
1-[(2,6-dichlorophenyl)methyl]-2-methyl-benzoimidazole
SMILES [?]:
Cc1nc2ccccc2n1Cc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2N2/c1-10-18-14-7-2-3-8-15(14)19(10)9-11-12(16)5-4-6-13(11)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,15,14,16,5,8,11,2,12,13,17,4,9,19,18,3,10/E:(5,6)(12,13)(16,17)/rA:19nCCNCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99422 |
Area: | 419.016 |
Solvation: | -1.48119 |
Coulombic: | -14.2084 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 291.175 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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