3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

C21H28N4O2 — CID 139383385

IUPAC3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2
InChIInChI=1S/C21H28N4O2/c1-14-23-10-19(24-14)13-25-11-17-7-4-8-18(12-25)21(17,27-2)16-6-3-5-15(9-16)20(22)26/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeySDHWZVPVLBNFNI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.59
Rot. Bonds5

About 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (PubChem CID 139383385) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.

Molecular Properties

Compound Name3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
PubChem CID139383385
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2
InChIInChI=1S/C21H28N4O2/c1-14-23-10-19(24-14)13-25-11-17-7-4-8-18(12-25)21(17,27-2)16-6-3-5-15(9-16)20(22)26/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeySDHWZVPVLBNFNI-UHFFFAOYSA-N
XLogP2.59
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide 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 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The IUPAC name of 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (CID 139383385) is 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.
What is the SMILES notation for 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The canonical SMILES for 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2.
What is the InChIKey of 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The InChIKey is SDHWZVPVLBNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-23-10-19(24-14)13-25-11-17-7-4-8-18(12-25)21(17,27-2)16-6-3-5-15(9-16)20(22)26/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is sourced from PubChem (CID 139383385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).