Chemical ID: 4707584

Cc1ccc(cc1)CSc2[nH]c(c(n2)c3ccccc3)c4ccccc4
Chemical ID:
4707584
Name [?]:
4,5-diphenyl-2-(p-tolylmethylsulfanyl)-1H-imidazole
SMILES [?]:
Cc1ccc(cc1)CSc2[nH]c(c(n2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H20N2S/c1-17-12-14-18(15-13-17)16-26-23-24-21(19-8-4-2-5-9-19)22(25-23)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,24,17,19,23,25,16,20,22,26,3,7,4,6,8,2,5,15,21,13,12,10,14,11,9/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(19,20)(21,22)(24,25)/rA:26nCCCCCCCCSCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;d10s13;s13;s15;d16;s17;d18;d15s19;s12;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.1101
Area:588.105
Solvation:-1.59257
Coulombic:-23.4733
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.484
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.81
LogP (Chemaxon):6.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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