1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone

C18H21N3O2 — CID 126840362

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H21N3O2/c22-17-10-15-5-6-16(11-17)21(15)18(23)9-13-1-3-14(4-2-13)20-8-7-19-12-20/h1-4,7-8,12,15-17,22H,5-6,9-11H2
InChIKeyIZLBOSDLYUKWBL-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone (PubChem CID 126840362) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
PubChem CID126840362
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H21N3O2/c22-17-10-15-5-6-16(11-17)21(15)18(23)9-13-1-3-14(4-2-13)20-8-7-19-12-20/h1-4,7-8,12,15-17,22H,5-6,9-11H2
InChIKeyIZLBOSDLYUKWBL-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone with MolForge

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Related Compounds

2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
CID 70394917
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone
CID 80677382
1-(1,1-dioxothiolan-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]methanamine
CID 60733553
1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 91942752
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 100726274
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone (CID 126840362) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone is O=C(Cc1ccc(-n2ccnc2)cc1)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone?
The InChIKey is IZLBOSDLYUKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-10-15-5-6-16(11-17)21(15)18(23)9-13-1-3-14(4-2-13)20-8-7-19-12-20/h1-4,7-8,12,15-17,22H,5-6,9-11H2.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone is sourced from PubChem (CID 126840362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).