Chemical ID: 4395594

CCCc1nc2ccccc2n1Cc3ccc(cc3)C(C)(C)C
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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Descriptor Annotations

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