Chemical ID: 4546780

CC(C)c1nc2ccccc2n1Cc3ccc(cc3Cl)Cl
Chemical ID:
4546780
Name [?]:
1-[(2,4-dichlorophenyl)methyl]-2-isopropyl-benzoimidazole
SMILES [?]:
CC(C)c1nc2ccccc2n1Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2/c1-11(2)17-20-15-5-3-4-6-16(15)21(17)10-12-7-8-13(18)9-14(12)19/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,7,10,15,16,18,13,2,14,17,19,6,11,4,21,20,5,12/E:(1,2)/rA:21nCCCCNCCCCCCNCCCCCCCClCl/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Cl2N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4573
Area:480.36
Solvation:-1.55166
Coulombic:-14.9103
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.228
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.36
LogP (Chemaxon):6.08

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