6-bromo-1-piperidin-1-ylbenzimidazol-2-amine

C12H15BrN4 — CID 83019172

IUPAC6-bromo-1-piperidin-1-ylbenzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1N1CCCCC1
InChIInChI=1S/C12H15BrN4/c13-9-4-5-10-11(8-9)17(12(14)15-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
InChIKeyREPAXQSRDUSFCA-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine

6-bromo-1-piperidin-1-ylbenzimidazol-2-amine (PubChem CID 83019172) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-piperidin-1-ylbenzimidazol-2-amine
PubChem CID83019172
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name6-bromo-1-piperidin-1-ylbenzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1N1CCCCC1
InChIInChI=1S/C12H15BrN4/c13-9-4-5-10-11(8-9)17(12(14)15-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
InChIKeyREPAXQSRDUSFCA-UHFFFAOYSA-N
XLogP2.50
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine (CID 83019172) is 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1N1CCCCC1.
What is the InChIKey of 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine?
The InChIKey is REPAXQSRDUSFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-9-4-5-10-11(8-9)17(12(14)15-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15).
What are the key properties of 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine?
6-bromo-1-piperidin-1-ylbenzimidazol-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-piperidin-1-ylbenzimidazol-2-amine is sourced from PubChem (CID 83019172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).