(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C21H29N3O2 — CID 98137423

IUPAC(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2
InChIInChI=1S/C21H29N3O2/c1-3-12-26-19-7-5-4-6-16(19)15-24-17-8-9-18(24)14-21(25,13-17)20-22-10-11-23(20)2/h4-7,10-11,17-18,25H,3,8-9,12-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyKEZNMZKTSSOTKA-QZTJIDSGSA-N
MW355.48 g/mol
LogP3.22
Rot. Bonds6

About (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 98137423) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID98137423
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2
InChIInChI=1S/C21H29N3O2/c1-3-12-26-19-7-5-4-6-16(19)15-24-17-8-9-18(24)14-21(25,13-17)20-22-10-11-23(20)2/h4-7,10-11,17-18,25H,3,8-9,12-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyKEZNMZKTSSOTKA-QZTJIDSGSA-N
XLogP3.22
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;8-[(3-methoxy-2-propoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171671572
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673729
(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(5-propylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137260
(1R,5S)-8-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 51495444
8-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966275
(1S,5S)-8-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98137373
(1R,5S)-3-(4-methoxyphenyl)-8-[(3-methoxy-2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51499488
(1R,5R)-8-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98137285
2-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-phenylethyl)acetamide
CID 98060353
8-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966022
(1S,5S)-8-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98137073
(2-chlorophenyl)-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 16669725

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 98137423) is (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2.
What is the InChIKey of (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KEZNMZKTSSOTKA-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-12-26-19-7-5-4-6-16(19)15-24-17-8-9-18(24)14-21(25,13-17)20-22-10-11-23(20)2/h4-7,10-11,17-18,25H,3,8-9,12-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 355.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(1-methylimidazol-2-yl)-8-[(2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 98137423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).