1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole

C22H27N5O — CID 123465251

IUPAC1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole
SMILESCOc1cnc(-c2nc3ccccc3n2C2CC3NC(C2)C(C)CC3C)cn1
InChIInChI=1S/C22H27N5O/c1-13-8-14(2)18-10-15(9-17(13)25-18)27-20-7-5-4-6-16(20)26-22(27)19-11-24-21(28-3)12-23-19/h4-7,11-15,17-18,25H,8-10H2,1-3H3
InChIKeyITBSHJOLAWDKQG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.84
Rot. Bonds3

About 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole

1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole (PubChem CID 123465251) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole
PubChem CID123465251
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole
SMILESCOc1cnc(-c2nc3ccccc3n2C2CC3NC(C2)C(C)CC3C)cn1
InChIInChI=1S/C22H27N5O/c1-13-8-14(2)18-10-15(9-17(13)25-18)27-20-7-5-4-6-16(20)26-22(27)19-11-24-21(28-3)12-23-19/h4-7,11-15,17-18,25H,8-10H2,1-3H3
InChIKeyITBSHJOLAWDKQG-UHFFFAOYSA-N
XLogP3.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole 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-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole?
The IUPAC name of 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole (CID 123465251) is 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole.
What is the SMILES notation for 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole?
The canonical SMILES for 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole is COc1cnc(-c2nc3ccccc3n2C2CC3NC(C2)C(C)CC3C)cn1.
What is the InChIKey of 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole?
The InChIKey is ITBSHJOLAWDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-13-8-14(2)18-10-15(9-17(13)25-18)27-20-7-5-4-6-16(20)26-22(27)19-11-24-21(28-3)12-23-19/h4-7,11-15,17-18,25H,8-10H2,1-3H3.
What are the key properties of 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole?
1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole has a molecular weight of 377.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole is sourced from PubChem (CID 123465251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).