N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide

C16H20N4O2 — CID 14762865

IUPACN-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CCN2CCCC1C2)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H20N4O2/c21-15(17-12-7-9-19-8-3-4-11(12)10-19)20-14-6-2-1-5-13(14)18-16(20)22/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,22)
InChIKeyDKRKNZHSEYJCMQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds1

About N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide

N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 14762865) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID14762865
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESO=C(NC1CCN2CCCC1C2)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H20N4O2/c21-15(17-12-7-9-19-8-3-4-11(12)10-19)20-14-6-2-1-5-13(14)18-16(20)22/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,22)
InChIKeyDKRKNZHSEYJCMQ-UHFFFAOYSA-N
XLogP1.37
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide (CID 14762865) is N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide is O=C(NC1CCN2CCCC1C2)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is DKRKNZHSEYJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(17-12-7-9-19-8-3-4-11(12)10-19)20-14-6-2-1-5-13(14)18-16(20)22/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,22).
What are the key properties of N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.3.1]nonan-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 14762865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).