5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one

C12H13BrN4O — CID 65345156

IUPAC5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one
SMILESNc1nc2ccc(Br)cc2n1C1CCC(=O)NC1
InChIInChI=1S/C12H13BrN4O/c13-7-1-3-9-10(5-7)17(12(14)16-9)8-2-4-11(18)15-6-8/h1,3,5,8H,2,4,6H2,(H2,14,16)(H,15,18)
InChIKeyZKEXOZATHLILMJ-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.83
Rot. Bonds1

About 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one

5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one (PubChem CID 65345156) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one
PubChem CID65345156
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one
SMILESNc1nc2ccc(Br)cc2n1C1CCC(=O)NC1
InChIInChI=1S/C12H13BrN4O/c13-7-1-3-9-10(5-7)17(12(14)16-9)8-2-4-11(18)15-6-8/h1,3,5,8H,2,4,6H2,(H2,14,16)(H,15,18)
InChIKeyZKEXOZATHLILMJ-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one?
The IUPAC name of 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one (CID 65345156) is 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one.
What is the SMILES notation for 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one?
The canonical SMILES for 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one is Nc1nc2ccc(Br)cc2n1C1CCC(=O)NC1.
What is the InChIKey of 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one?
The InChIKey is ZKEXOZATHLILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-7-1-3-9-10(5-7)17(12(14)16-9)8-2-4-11(18)15-6-8/h1,3,5,8H,2,4,6H2,(H2,14,16)(H,15,18).
What are the key properties of 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one?
5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one has a molecular weight of 309.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one is sourced from PubChem (CID 65345156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).