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Chemical ID: 6690539
Chemical ID:
6690539
Name [?]:
1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILES [?]:
Cc1cc(c(c(c1)C)N2CCN(C2)c3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C21H28N2/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/h9-12H,7-8,13H2,1-6H3
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)/rA:23cCCCCCCCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s9s12;s12;s14;d15;s16;d17;d14s18;s19;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0812 |
Area: | 495.475 |
Solvation: | -1.30567 |
Coulombic: | -14.5993 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.96 |
LogP (Chemaxon): | 7.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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