(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C18H20ClN3O2 — CID 16669726

IUPAC(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-21-8-7-20-17(21)18(24)10-14-5-6-15(11-18)22(14)16(23)12-3-2-4-13(19)9-12/h2-4,7-9,14-15,24H,5-6,10-11H2,1H3
InChIKeyNUIXQFGUQXNADS-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.73
Rot. Bonds2

About (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 16669726) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID16669726
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-21-8-7-20-17(21)18(24)10-14-5-6-15(11-18)22(14)16(23)12-3-2-4-13(19)9-12/h2-4,7-9,14-15,24H,5-6,10-11H2,1H3
InChIKeyNUIXQFGUQXNADS-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 16669725
[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-thiophen-2-ylmethanone
CID 16669723
[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-phenothiazin-10-ylmethanone
CID 16669714
(1S,5S)-N-benzyl-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 98060175
(3-chlorophenyl)-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 139028979
[(1R,5S)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(3-methoxyphenyl)methanone
CID 95799342
2-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-phenylethyl)acetamide
CID 98060353
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methylcyclohexyl)acetamide
CID 16669468
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 110213886
6-(1-methylimidazol-2-yl)-1,4-dithiepan-6-ol
CID 125495336
(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(5-propylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137260
2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 95797300

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 16669726) is (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cn1ccnc1C1(O)CC2CCC(C1)N2C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is NUIXQFGUQXNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-21-8-7-20-17(21)18(24)10-14-5-6-15(11-18)22(14)16(23)12-3-2-4-13(19)9-12/h2-4,7-9,14-15,24H,5-6,10-11H2,1H3.
What are the key properties of (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 16669726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).