Chemical ID: 7185492

CCCCCc1[nH+]c2ccccc2n1Cc3ccc(cc3)Cl
Chemical ID:
7185492
Name [?]:
1-[(4-chlorophenyl)methyl]-2-pentyl-3H-benzoimidazole
SMILES [?]:
CCCCCc1[nH+]c2ccccc2n1Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H21ClN2/c1-2-3-4-9-19-21-17-7-5-6-8-18(17)22(19)14-15-10-12-16(20)13-11-15/h5-8,10-13H,2-4,9,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,11,9,12,5,17,21,18,20,15,16,19,8,13,6,22,7,14/E:(10,11)(12,13)/rA:22nCCCCCCN+CCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN2+
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-17.2114
Area:535.289
Solvation:-30.5936
Coulombic:-6.66183
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.844
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.3
LogP (Chemaxon):6.19

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