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Chemical ID: 7123769
Chemical ID:
7123769
Name [?]:
1-benzyl-2-isopropyl-3H-benzoimidazole
SMILES [?]:
CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3
InChi [?]:
InChI=1/C17H18N2/c1-13(2)17-18-15-10-6-7-11-16(15)19(17)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,8,9,15,19,7,10,13,2,14,6,11,4,5,12/E:(1,2)(4,5)(8,9)/rA:19nCCCCN+CCCCCCNCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N2+ |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.0713 |
Area: | 437.65 |
Solvation: | -29.0125 |
Coulombic: | -7.18602 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.27 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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