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Chemical ID: 7001064
Chemical ID:
7001064
Name [?]:
2-isopropyl-1-[(4-tert-butylphenyl)methyl]benzoimidazole
SMILES [?]:
CC(C)c1nc2ccccc2n1Cc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H26N2/c1-15(2)20-22-18-8-6-7-9-19(18)23(20)14-16-10-12-17(13-11-16)21(3,4)5/h6-13,15H,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,23,8,9,7,10,15,19,16,18,13,2,14,17,6,11,4,20,5,12/E:(1,2)(3,4,5)(10,11)(12,13)/rA:23nCCCCNCCCCCCNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2 |
All Atoms: | 49 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1957 |
Area: | 517.044 |
Solvation: | -1.73045 |
Coulombic: | -15.2113 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.93 |
LogP (Chemaxon): | 6.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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