3-bromopyrido[1,2-a]benzimidazole

C11H7BrN2 — CID 132596716

IUPAC3-bromopyrido[1,2-a]benzimidazole
SMILESBrc1ccn2c(c1)nc1ccccc12
InChIInChI=1S/C11H7BrN2/c12-8-5-6-14-10-4-2-1-3-9(10)13-11(14)7-8/h1-7H
InChIKeyYWBSQLFNAWUXHX-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.25
Rot. Bonds

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

3-bromopyrido[1,2-a]benzimidazole (PubChem CID 132596716) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-bromopyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-bromopyrido[1,2-a]benzimidazole
PubChem CID132596716
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name3-bromopyrido[1,2-a]benzimidazole
SMILESBrc1ccn2c(c1)nc1ccccc12
InChIInChI=1S/C11H7BrN2/c12-8-5-6-14-10-4-2-1-3-9(10)13-11(14)7-8/h1-7H
InChIKeyYWBSQLFNAWUXHX-UHFFFAOYSA-N
XLogP3.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyrido[1,2-a]benzimidazole?
The IUPAC name of 3-bromopyrido[1,2-a]benzimidazole (CID 132596716) is 3-bromopyrido[1,2-a]benzimidazole.
What is the SMILES notation for 3-bromopyrido[1,2-a]benzimidazole?
The canonical SMILES for 3-bromopyrido[1,2-a]benzimidazole is Brc1ccn2c(c1)nc1ccccc12.
What is the InChIKey of 3-bromopyrido[1,2-a]benzimidazole?
The InChIKey is YWBSQLFNAWUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-8-5-6-14-10-4-2-1-3-9(10)13-11(14)7-8/h1-7H.
What are the key properties of 3-bromopyrido[1,2-a]benzimidazole?
3-bromopyrido[1,2-a]benzimidazole has a molecular weight of 247.10 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrido[1,2-a]benzimidazole is sourced from PubChem (CID 132596716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).