3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C25H28N4O — CID 68578913

IUPAC3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3C(Cc2ccccc2)c2cnc[nH]2)c1
InChIInChI=1S/C25H28N4O/c26-25(30)19-8-4-7-18(12-19)20-13-21-9-10-22(14-20)29(21)24(23-15-27-16-28-23)11-17-5-2-1-3-6-17/h1-8,12,15-16,20-22,24H,9-11,13-14H2,(H2,26,30)(H,27,28)
InChIKeyOINSRATUMOZNBT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.20
Rot. Bonds6

About 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 68578913) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID68578913
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3C(Cc2ccccc2)c2cnc[nH]2)c1
InChIInChI=1S/C25H28N4O/c26-25(30)19-8-4-7-18(12-19)20-13-21-9-10-22(14-20)29(21)24(23-15-27-16-28-23)11-17-5-2-1-3-6-17/h1-8,12,15-16,20-22,24H,9-11,13-14H2,(H2,26,30)(H,27,28)
InChIKeyOINSRATUMOZNBT-UHFFFAOYSA-N
XLogP4.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

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Related Compounds

3-[8-[3-(benzylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175832184
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2-hydroxy-3-phenylpropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67182970
3-[8-[2-[benzyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68547343
3-[(1S,5R)-8-[2-[[(2S)-2,3-dihydroxypropanoyl]-(2-phenylethyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183440
3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 24896237
3-[8-[3-[benzyl-[(2S)-2,3-dihydroxypropanoyl]amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67184091
3-[8-[2-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 24896361
3-[8-[2-[benzyl-(3-hydroxy-2,2-dimethylpropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67185268
3-[(1S,5R)-8-[2-[benzyl-(2-methylsulfonylacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183386
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68577031

Frequently Asked Questions

What is the IUPAC name of 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 68578913) is 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is NC(=O)c1cccc(C2CC3CCC(C2)N3C(Cc2ccccc2)c2cnc[nH]2)c1.
What is the InChIKey of 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is OINSRATUMOZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-25(30)19-8-4-7-18(12-19)20-13-21-9-10-22(14-20)29(21)24(23-15-27-16-28-23)11-17-5-2-1-3-6-17/h1-8,12,15-16,20-22,24H,9-11,13-14H2,(H2,26,30)(H,27,28).
What are the key properties of 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 68578913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).