N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide

C15H18N4O2 — CID 14762864

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CN2CCC1CC2)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H18N4O2/c20-14-16-11-3-1-2-4-13(11)19(14)15(21)17-12-9-18-7-5-10(12)6-8-18/h1-4,10,12H,5-9H2,(H,16,20)(H,17,21)
InChIKeyULTZXUUMKGAYLN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds1

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 14762864) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID14762864
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CN2CCC1CC2)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H18N4O2/c20-14-16-11-3-1-2-4-13(11)19(14)15(21)17-12-9-18-7-5-10(12)6-8-18/h1-4,10,12H,5-9H2,(H,16,20)(H,17,21)
InChIKeyULTZXUUMKGAYLN-UHFFFAOYSA-N
XLogP0.98
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide (CID 14762864) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide is O=C(NC1CN2CCC1CC2)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is ULTZXUUMKGAYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-16-11-3-1-2-4-13(11)19(14)15(21)17-12-9-18-7-5-10(12)6-8-18/h1-4,10,12H,5-9H2,(H,16,20)(H,17,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 14762864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).