Chemical ID: 7001064

CC(C)c1nc2ccccc2n1Cc3ccc(cc3)C(C)(C)C
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

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Descriptor Annotations

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