2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C11H11BrN2 — CID 717369

IUPAC2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESBrc1ccc2nc3c(n2c1)CCCC3
InChIInChI=1S/C11H11BrN2/c12-8-5-6-11-13-9-3-1-2-4-10(9)14(11)7-8/h5-7H,1-4H2
InChIKeyXLNQAGVAQAWLHM-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.98
Rot. Bonds

About 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 717369) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID717369
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESBrc1ccc2nc3c(n2c1)CCCC3
InChIInChI=1S/C11H11BrN2/c12-8-5-6-11-13-9-3-1-2-4-10(9)14(11)7-8/h5-7H,1-4H2
InChIKeyXLNQAGVAQAWLHM-UHFFFAOYSA-N
XLogP2.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 717369) is 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is Brc1ccc2nc3c(n2c1)CCCC3.
What is the InChIKey of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is XLNQAGVAQAWLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-8-5-6-11-13-9-3-1-2-4-10(9)14(11)7-8/h5-7H,1-4H2.
What are the key properties of 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 251.13 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 717369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).