6-bromo-1-(oxan-4-yl)benzimidazol-2-amine

C12H14BrN3O — CID 65346881

IUPAC6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1C1CCOCC1
InChIInChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)16(12(14)15-10)9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15)
InChIKeyPXGAZMYSAKDZCO-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.73
Rot. Bonds1

About 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine

6-bromo-1-(oxan-4-yl)benzimidazol-2-amine (PubChem CID 65346881) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
PubChem CID65346881
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1C1CCOCC1
InChIInChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)16(12(14)15-10)9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15)
InChIKeyPXGAZMYSAKDZCO-UHFFFAOYSA-N
XLogP2.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine (CID 65346881) is 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1C1CCOCC1.
What is the InChIKey of 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine?
The InChIKey is PXGAZMYSAKDZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)16(12(14)15-10)9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15).
What are the key properties of 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine?
6-bromo-1-(oxan-4-yl)benzimidazol-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(oxan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 65346881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).