Chemical ID: 4168385

Cc1[nH]c2cc(ccc2n1)Br
Chemical ID:
4168385
Name [?]:
5-bromo-2-methyl-3H-benzoimidazole
SMILES [?]:
Cc1[nH]c2cc(ccc2n1)Br
InChi [?]:
InChI=1/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,8,5,2,6,9,4,11,10,3/rA:11nCCNCCCCCCNBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;d2s9;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7BrN2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.69508
Area:312.355
Solvation:-1.1138
Coulombic:-16.1904
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.059
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.35
LogP (Chemaxon):2.62

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