N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide

C22H24N4O2 — CID 14762870

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H24N4O2/c27-21(26-20-9-5-4-8-19(20)24-22(26)28)23-16-12-17-10-11-18(13-16)25(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyLISZRGLNFQGDBY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.08
Rot. Bonds3

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 14762870) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID14762870
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H24N4O2/c27-21(26-20-9-5-4-8-19(20)24-22(26)28)23-16-12-17-10-11-18(13-16)25(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyLISZRGLNFQGDBY-UHFFFAOYSA-N
XLogP3.08
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide with MolForge

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Related Compounds

[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
CID 14762809
N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 62705813
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopentyloxyacetamide
CID 71876739
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-chlorophenyl)urea
CID 43813857
(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
CID 120636405
methyl 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-6-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
CID 59846679

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide (CID 14762870) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is LISZRGLNFQGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(26-20-9-5-4-8-19(20)24-22(26)28)23-16-12-17-10-11-18(13-16)25(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,27)(H,24,28).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 14762870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).