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Chemical ID: 4395594
Chemical ID:
4395594
Name [?]:
2-propyl-1-[(4-tert-butylphenyl)methyl]benzoimidazole
SMILES [?]:
CCCc1nc2ccccc2n1Cc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H26N2/c1-5-8-20-22-18-9-6-7-10-19(18)23(20)15-16-11-13-17(14-12-16)21(2,3)4/h6-7,9-14H,5,8,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,23,2,8,9,3,7,10,15,19,16,18,13,14,17,6,11,4,20,5,12/E:(2,3,4)(11,12)(13,14)/rA:23nCCCCNCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;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: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4774 |
Area: | 528.942 |
Solvation: | -1.74614 |
Coulombic: | -15.1071 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.21 |
LogP (Chemaxon): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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