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Chemical ID: 3966083
Chemical ID:
3966083
Name [?]:
1-[(2-chlorophenyl)-diphenyl-methyl]imidazole
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
InChi [?]:
InChI=1/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,16,17,3,5,9,13,15,18,23,22,25,4,8,14,19,7,20,24,21/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/rA:25nCCCCCCCCCCCCCCCCCCCClNCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s19;s7;s21;d22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4499 |
Area: | 495.471 |
Solvation: | -1.9369 |
Coulombic: | -17.2969 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.837 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.14 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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