Chemical ID: 7121834

CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3Cl
Chemical ID:
7121834
Name [?]:
1-[(2-chlorophenyl)methyl]-2-isopropyl-3H-benzoimidazole
SMILES [?]:
CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3Cl
InChi [?]:
InChI=1/C17H17ClN2/c1-12(2)17-19-15-9-5-6-10-16(15)20(17)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,16,17,8,9,15,18,7,10,13,2,14,19,6,11,4,20,5,12/E:(1,2)/rA:20nCCCCN+CCCCCCNCCCCCCCCl/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClN2+
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-17.9434
Area:439.022
Solvation:-28.9189
Coulombic:-7.50451
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.791
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.89
LogP (Chemaxon):5.56

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