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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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
Bimu 1
CID 9929033
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 131725
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 14762874
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
CID 709667
Benzimidazolone scaffold, 15g
CID 25256850
Benzimidazolone scaffold, 15c
CID 42618263
Benzimidazolone scaffold, 15i
CID 42618265

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).