1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole

C15H19N3O — CID 53260885

IUPAC1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole
SMILESCOc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H19N3O/c1-19-15-17-13-4-2-3-5-14(13)18(15)12-8-10-6-7-11(9-12)16-10/h2-5,10-12,16H,6-9H2,1H3/t10-,11+,12?
InChIKeyXEQOYWWWLBQMNJ-FOSCPWQOSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds2

About 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole (PubChem CID 53260885) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole.

Molecular Properties

Compound Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole
PubChem CID53260885
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole
SMILESCOc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H19N3O/c1-19-15-17-13-4-2-3-5-14(13)18(15)12-8-10-6-7-11(9-12)16-10/h2-5,10-12,16H,6-9H2,1H3/t10-,11+,12?
InChIKeyXEQOYWWWLBQMNJ-FOSCPWQOSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole 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

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
CID 53260882
ethyl 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450913
1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole
CID 23383529
1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole
CID 147017179
(2Z)-2-[4-(9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxalin-2-yl]-2-[2-(diethylamino)-2-oxoethoxy]iminoacetic acid
CID 144657638
4-(9-azabicyclo[3.3.1]nonan-3-yl)-N'-hydroxy-3-oxoquinoxaline-2-carboximidamide;bicyclo[3.3.1]nonane
CID 144657639
1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane
CID 144564543
1-(6-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-oxo-1H-pyrimidin-6-yl)quinoxalin-2-one
CID 144564539
(2Z)-2-(1-amino-3-methylbutan-2-yl)oxyimino-2-[4-(9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxalin-2-yl]acetic acid
CID 144657738
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
1-(6,8-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(5-methoxypyrazin-2-yl)benzimidazole
CID 123465251

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole?
The IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole (CID 53260885) is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole.
What is the SMILES notation for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole?
The canonical SMILES for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole is COc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole?
The InChIKey is XEQOYWWWLBQMNJ-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-17-13-4-2-3-5-14(13)18(15)12-8-10-6-7-11(9-12)16-10/h2-5,10-12,16H,6-9H2,1H3/t10-,11+,12?.
What are the key properties of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole?
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole has a molecular weight of 257.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole is sourced from PubChem (CID 53260885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).