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Chemical ID: 3964367
Chemical ID:
3964367
Name [?]:
2-iodo-1-trityl-imidazole
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4ccnc4I
InChi [?]:
InChI=1/C22H17IN2/c23-21-24-16-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,3,5,9,13,15,19,22,21,4,8,14,24,7,25,23,20/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(18,19,20)/rA:25nCCCCCCCCCCCCCCCCCCCNCCNCI/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;d21;s22;s20d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17IN2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9914 |
Area: | 505.25 |
Solvation: | -1.63981 |
Coulombic: | -18.9255 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 436.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.6 |
LogP (Chemaxon): | 6.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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