[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone

C17H20N4O — CID 72696904

IUPAC[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C17H20N4O/c22-17(21-10-13-7-14(11-21)9-19-8-13)15-1-3-16(4-2-15)20-6-5-18-12-20/h1-6,12-14,19H,7-11H2/t13-,14+
InChIKeyHDJSUBNKGUGSKD-OKILXGFUSA-N
MW296.37 g/mol
LogP1.55
Rot. Bonds2

About [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone

[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 72696904) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID72696904
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C17H20N4O/c22-17(21-10-13-7-14(11-21)9-19-8-13)15-1-3-16(4-2-15)20-6-5-18-12-20/h1-6,12-14,19H,7-11H2/t13-,14+
InChIKeyHDJSUBNKGUGSKD-OKILXGFUSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone with MolForge

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 71493691
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[(3R,4R)-3-[[ethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 70746068
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[(3R,3aS,6aS)-2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
CID 171686809
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 11796495
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone (CID 72696904) is [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone is O=C(c1ccc(-n2ccnc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1.
What is the InChIKey of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is HDJSUBNKGUGSKD-OKILXGFUSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(21-10-13-7-14(11-21)9-19-8-13)15-1-3-16(4-2-15)20-6-5-18-12-20/h1-6,12-14,19H,7-11H2/t13-,14+.
What are the key properties of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone?
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 72696904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).