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Chemical ID: 7125083
Chemical ID:
7125083
Name [?]:
1-[(2,4-dichlorophenyl)methyl]-2-isopropyl-3H-benzoimidazole
SMILES [?]:
CC(C)c1[nH+]c2ccccc2n1Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2/c1-11(2)17-20-15-5-3-4-6-16(15)21(17)10-12-7-8-13(18)9-14(12)19/h3-9,11H,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,8,9,7,10,15,16,18,13,2,14,17,19,6,11,4,21,20,5,12/E:(1,2)/rA:21nCCCCN+CCCCCCNCCCCCCCClCl/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2N2+ |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.7873 |
Area: | 474.243 |
Solvation: | -29.6434 |
Coulombic: | -6.64214 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.236 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.51 |
LogP (Chemaxon): | 6.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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