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Chemical ID: 4630798
Chemical ID:
4630798
Name [?]:
2-(4-methylsulfanylphenyl)-4,5-bis(p-tolyl)-1H-imidazole
SMILES [?]:
Cc1ccc(cc1)c2c(nc([nH]2)c3ccc(cc3)SC)c4ccc(cc4)C
InChi [?]:
InChI=1/C24H22N2S/c1-16-4-8-18(9-5-16)22-23(19-10-6-17(2)7-11-19)26-24(25-22)20-12-14-21(27-3)15-13-20/h4-15H,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,20,3,7,23,25,4,6,22,26,14,18,15,17,2,24,5,21,13,16,8,9,11,12,10,19/E:(1,2)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(22,23)(25,26)/rA:27nCCCCCCCCCNCNCCCCCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s9;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3546 |
Area: | 605.253 |
Solvation: | -1.77674 |
Coulombic: | -22.3636 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 7.75 |
LogP (Chemaxon): | 7.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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