[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate

C22H23N3O3 — CID 14762809

IUPAC[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
SMILESO=C(OC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H23N3O3/c26-21-23-19-8-4-5-9-20(19)25(21)22(27)28-18-12-16-10-11-17(13-18)24(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,26)/t16-,17+,18?
InChIKeyPRLVXOBFRCSGHP-JWTNVVGKSA-N
MW377.44 g/mol
LogP3.51
Rot. Bonds3

About [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate

[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate (PubChem CID 14762809) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate.

Molecular Properties

Compound Name[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
PubChem CID14762809
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
SMILESO=C(OC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H23N3O3/c26-21-23-19-8-4-5-9-20(19)25(21)22(27)28-18-12-16-10-11-17(13-18)24(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,26)/t16-,17+,18?
InChIKeyPRLVXOBFRCSGHP-JWTNVVGKSA-N
XLogP3.51
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate with MolForge

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
CID 14762870
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
CID 14762847
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] carbonochloridate;hydrochloride
CID 14762758
(6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 68933128
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-fluoro-2-oxo-3H-benzimidazole-1-carboxylate
CID 14762819
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-fluoro-2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 45264297
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate
CID 14762833
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
CID 15992
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-5-(trifluoromethyl)-3H-benzimidazole-1-carboxylate
CID 14762831
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate?
The IUPAC name of [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate (CID 14762809) is [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate.
What is the SMILES notation for [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate?
The canonical SMILES for [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate is O=C(OC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate?
The InChIKey is PRLVXOBFRCSGHP-JWTNVVGKSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21-23-19-8-4-5-9-20(19)25(21)22(27)28-18-12-16-10-11-17(13-18)24(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,26)/t16-,17+,18?.
What are the key properties of [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate?
[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate is sourced from PubChem (CID 14762809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).