1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone

C16H19N3O — CID 116575970

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)C2CC3CCC2N3)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-19-14-5-3-2-4-13(14)18-16(19)9-15(20)11-8-10-6-7-12(11)17-10/h2-5,10-12,17H,6-9H2,1H3
InChIKeyYJCLHKCWJBGGIH-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.83
Rot. Bonds3

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 116575970) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID116575970
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)C2CC3CCC2N3)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-19-14-5-3-2-4-13(14)18-16(19)9-15(20)11-8-10-6-7-12(11)17-10/h2-5,10-12,17H,6-9H2,1H3
InChIKeyYJCLHKCWJBGGIH-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone 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-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 116575970) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)C2CC3CCC2N3)nc2ccccc21.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is YJCLHKCWJBGGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-14-5-3-2-4-13(14)18-16(19)9-15(20)11-8-10-6-7-12(11)17-10/h2-5,10-12,17H,6-9H2,1H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 269.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116575970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).