Chemical ID: 5697826

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn2c3ccccc3n(c2=[NH2+])C
Chemical ID:
5697826
Name [?]:
[1-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)-2-oxo-ethyl]-3-methyl-benzoimidazol-2-ylidene]ammonium
SMILES [?]:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn2c3ccccc3n(c2=[NH2+])C
InChi [?]:
InChI=1/C24H31N3O2/c1-23(2,3)16-12-15(13-17(21(16)29)24(4,5)6)20(28)14-27-19-11-9-8-10-18(19)26(7)22(27)25/h8-13,25,29H,14H2,1-7H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,15,29,23,22,24,21,6,8,18,7,5,9,25,20,16,10,27,2,12,28,26,19,17,11/E:(1,2,3,4,5,6)(12,13)(16,17)(23,24)/rA:29nCCCCCCCCCCOCCCCCOCNCCCCCCNCN+C/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s12;s12;s12;s7;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s19s26;d27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N3O2+
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-24.8429
Area:615.26
Solvation:-40.2244
Coulombic:-40.9656
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.53
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:6.02
LogP (Chemaxon):5.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue