Chemical ID: 4630798

Cc1ccc(cc1)c2c(nc([nH]2)c3ccc(cc3)SC)c4ccc(cc4)C
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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Descriptor Annotations

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