1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine

C14H17BrN4 — CID 65347451

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1C1CN2CCC1CC2
InChIInChI=1S/C14H17BrN4/c15-10-1-2-11-12(7-10)19(14(16)17-11)13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H2,16,17)
InChIKeyMPWVWZLVWQHKTL-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.65
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine (PubChem CID 65347451) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine
PubChem CID65347451
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1C1CN2CCC1CC2
InChIInChI=1S/C14H17BrN4/c15-10-1-2-11-12(7-10)19(14(16)17-11)13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H2,16,17)
InChIKeyMPWVWZLVWQHKTL-UHFFFAOYSA-N
XLogP2.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-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 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine (CID 65347451) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine?
The InChIKey is MPWVWZLVWQHKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c15-10-1-2-11-12(7-10)19(14(16)17-11)13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H2,16,17).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine is sourced from PubChem (CID 65347451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).