Chemical ID: 7087383

Cc1cc(c(c(c1)C)N2CC[N+](=C2)c3c(cc(cc3C)C)C)C
Chemical ID:
7087383
Name [?]:
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazole
SMILES [?]:
Cc1cc(c(c(c1)C)N2CC[N+](=C2)c3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C21H27N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h9-13H,7-8H2,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:1,21,8,23,20,22,10,11,7,3,18,16,13,2,17,6,4,19,15,5,14,9,12/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(14,15)(16,17,18,19)(20,21)(22,23)/CRV:23+1/rA:23nCCCCCCCCNCCN+CCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N2+
All Atoms:50
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-12.5146
Area:513.211
Solvation:-25.3449
Coulombic:8.61676
Bond Count [?]
All:25
Single:18
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:307.453
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.9
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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