6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C11H11BrN2 — CID 171064698

IUPAC6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESBrc1cccc2c1nc1n2CCCC1
InChIInChI=1S/C11H11BrN2/c12-8-4-3-5-9-11(8)13-10-6-1-2-7-14(9)10/h3-5H,1-2,6-7H2
InChIKeyAZLALDVTUPLBMJ-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.14
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 171064698) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID171064698
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESBrc1cccc2c1nc1n2CCCC1
InChIInChI=1S/C11H11BrN2/c12-8-4-3-5-9-11(8)13-10-6-1-2-7-14(9)10/h3-5H,1-2,6-7H2
InChIKeyAZLALDVTUPLBMJ-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 171064698) is 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is Brc1cccc2c1nc1n2CCCC1.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is AZLALDVTUPLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-8-4-3-5-9-11(8)13-10-6-1-2-7-14(9)10/h3-5H,1-2,6-7H2.
What are the key properties of 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 251.13 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 171064698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).