Chemical ID: 7185521

Cc1cccc(c1)OCCCn2c3ccccc3[nH+]c2Cc4ccccc4
Chemical ID:
7185521
Name [?]:
2-benzyl-1-[3-(3-methylphenoxy)propyl]-3H-benzoimidazole
SMILES [?]:
Cc1cccc(c1)OCCCn2c3ccccc3[nH+]c2Cc4ccccc4
InChi [?]:
InChI=1/C24H24N2O/c1-19-9-7-12-21(17-19)27-16-8-15-26-23-14-6-5-13-22(23)25-24(26)18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,25,24,26,16,15,4,10,3,23,27,5,17,14,11,9,7,21,2,22,6,18,13,20,19,12,8/E:(3,4)(10,11)/rA:27nCCCCCCCOCCCNCCCCCCN+CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25N2O+
All Atoms:52
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-16.7365
Area:602.816
Solvation:-31.8069
Coulombic:-14.1007
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.468
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.06
LogP (Chemaxon):6.06

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Descriptor Annotations

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