3-bromopyrimido[1,2-a]benzimidazole

C10H6BrN3 — CID 28819039

IUPAC3-bromopyrimido[1,2-a]benzimidazole
SMILESBrc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C10H6BrN3/c11-7-5-12-10-13-8-3-1-2-4-9(8)14(10)6-7/h1-6H
InChIKeyVEXDSLZOKLRXIT-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.64
Rot. Bonds

About 3-bromopyrimido[1,2-a]benzimidazole

3-bromopyrimido[1,2-a]benzimidazole (PubChem CID 28819039) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 3-bromopyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-bromopyrimido[1,2-a]benzimidazole
PubChem CID28819039
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name3-bromopyrimido[1,2-a]benzimidazole
SMILESBrc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C10H6BrN3/c11-7-5-12-10-13-8-3-1-2-4-9(8)14(10)6-7/h1-6H
InChIKeyVEXDSLZOKLRXIT-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromopyrimido[1,2-a]benzimidazole 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

pyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 82401393
4-pyrimido[1,2-a]benzimidazol-3-ylaniline
CID 53339263
3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
CID 165178310
3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
CID 44577928
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
3-bromopyrido[1,2-a]benzimidazole
CID 132596716
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
5-(4-bromophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one
CID 25252192
6-bromo-3-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258250
2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 83844753
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrimido[1,2-a]benzimidazole?
The IUPAC name of 3-bromopyrimido[1,2-a]benzimidazole (CID 28819039) is 3-bromopyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 3-bromopyrimido[1,2-a]benzimidazole?
The canonical SMILES for 3-bromopyrimido[1,2-a]benzimidazole is Brc1cnc2nc3ccccc3n2c1.
What is the InChIKey of 3-bromopyrimido[1,2-a]benzimidazole?
The InChIKey is VEXDSLZOKLRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-7-5-12-10-13-8-3-1-2-4-9(8)14(10)6-7/h1-6H.
What are the key properties of 3-bromopyrimido[1,2-a]benzimidazole?
3-bromopyrimido[1,2-a]benzimidazole has a molecular weight of 248.08 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 28819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).