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Chemical ID: 7121834
Chemical ID:
7121834
Name [?]:
1-[(2-chlorophenyl)methyl]-2-isopropyl-3H-benzoimidazole
SMILES [?]:
CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3Cl
InChi [?]:
InChI=1/C17H17ClN2/c1-12(2)17-19-15-9-5-6-10-16(15)20(17)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,16,17,8,9,15,18,7,10,13,2,14,19,6,11,4,20,5,12/E:(1,2)/rA:20nCCCCN+CCCCCCNCCCCCCCCl/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN2+ |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.9434 |
Area: | 439.022 |
Solvation: | -28.9189 |
Coulombic: | -7.50451 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.791 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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