PDB Chemical Component K17

Ideal Model

Chemical Description

Name 4,5,6,7-TETRABROMO-BENZIMIDAZOLE
Formula C7 H2 Br4 N2
Formal charge 0
Molecular weight 433.720 g/mol
Component type NON-POLYMER

Chemical features

Atom count 15
Chiral atom count 0
Bond count 16
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) 4,5,6,7-tetrabromo-1H-benzimidazole
Systematic name (OpenEye OEToolkits) 4,5,6,7-tetrabromo-1H-benzimidazole

Chemical Descriptors

Stereo SMILES (CACTVS) Brc1c(Br)c(Br)c2nc[nH]c2c1Br
SMILES (CACTVS) Brc1c(Br)c(Br)c2nc[nH]c2c1Br
Stereo SMILES (OpenEye) c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
InChI descriptor InChI=1/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)/f/h12H
InChIKey descriptor LOEIRDBRYBHAJB-XWKXFZRBCC

Status Information

Last modified 2008-10-14
Created 2007-03-12
Release status REL
Processing site RCSB