N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide

C16H20N4O — CID 91341910

IUPACN-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NC12CCCN(CCC1)C2)c1cccc2[nH]cnc12
InChIInChI=1S/C16H20N4O/c21-15(12-4-1-5-13-14(12)18-11-17-13)19-16-6-2-8-20(10-16)9-3-7-16/h1,4-5,11H,2-3,6-10H2,(H,17,18)(H,19,21)
InChIKeyWKUDKGAUPFJRCN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide

N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 91341910) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID91341910
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NC12CCCN(CCC1)C2)c1cccc2[nH]cnc12
InChIInChI=1S/C16H20N4O/c21-15(12-4-1-5-13-14(12)18-11-17-13)19-16-6-2-8-20(10-16)9-3-7-16/h1,4-5,11H,2-3,6-10H2,(H,17,18)(H,19,21)
InChIKeyWKUDKGAUPFJRCN-UHFFFAOYSA-N
XLogP1.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide (CID 91341910) is N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide is O=C(NC12CCCN(CCC1)C2)c1cccc2[nH]cnc12.
What is the InChIKey of N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is WKUDKGAUPFJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(12-4-1-5-13-14(12)18-11-17-13)19-16-6-2-8-20(10-16)9-3-7-16/h1,4-5,11H,2-3,6-10H2,(H,17,18)(H,19,21).
What are the key properties of N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide?
N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 91341910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).