2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole

C13H6Br2N2O — CID 141471417

IUPAC2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole
SMILESBrc1ccc2nc3oc4ccc(Br)cc4n3c2c1
InChIInChI=1S/C13H6Br2N2O/c14-7-1-3-9-10(5-7)17-11-6-8(15)2-4-12(11)18-13(17)16-9/h1-6H
InChIKeyHILYREKYQJRZSC-UHFFFAOYSA-N
MW366.01 g/mol
LogP4.76
Rot. Bonds

About 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole

2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 141471417) has the molecular formula C13H6Br2N2O and a molecular weight of 366.01 g/mol. Its IUPAC name is 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID141471417
Molecular FormulaC13H6Br2N2O
Molecular Weight366.01 g/mol
Exact Mass363.88
IUPAC Name2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole
SMILESBrc1ccc2nc3oc4ccc(Br)cc4n3c2c1
InChIInChI=1S/C13H6Br2N2O/c14-7-1-3-9-10(5-7)17-11-6-8(15)2-4-12(11)18-13(17)16-9/h1-6H
InChIKeyHILYREKYQJRZSC-UHFFFAOYSA-N
XLogP4.76
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-4-phenylpyrimido[2,1-b][1,3]benzoxazol-2-one
CID 171448296
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6-bromo-N,1-dimethylbenzimidazol-2-amine
CID 84629605
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)benzimidazole
CID 65346716
9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine
CID 1274258
6-bromo-1-tert-butylbenzimidazol-2-amine
CID 65347259
4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409482
(6-bromo-1,3-benzoxazol-2-yl)methanol
CID 119031268

Frequently Asked Questions

What is the IUPAC name of 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole (CID 141471417) is 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole is Brc1ccc2nc3oc4ccc(Br)cc4n3c2c1.
What is the InChIKey of 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is HILYREKYQJRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2N2O/c14-7-1-3-9-10(5-7)17-11-6-8(15)2-4-12(11)18-13(17)16-9/h1-6H.
What are the key properties of 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole?
2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 366.01 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 141471417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).