Chemical ID: 7123769

CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3
Chemical ID:
7123769
Name [?]:
1-benzyl-2-isopropyl-3H-benzoimidazole
SMILES [?]:
CC(C)c1[nH+]c2ccccc2n1Cc3ccccc3
InChi [?]:
InChI=1/C17H18N2/c1-13(2)17-18-15-10-6-7-11-16(15)19(17)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,8,9,15,19,7,10,13,2,14,6,11,4,5,12/E:(1,2)(4,5)(8,9)/rA:19nCCCCN+CCCCCCNCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N2+
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-18.0713
Area:437.65
Solvation:-29.0125
Coulombic:-7.18602
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.346
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.27
LogP (Chemaxon):5.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue