3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide

C18H24N4O2 — CID 14762874

IUPAC3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2
InChIInChI=1S/C18H24N4O2/c1-20-13-6-5-7-14(20)11-12(10-13)19-17(23)22-16-9-4-3-8-15(16)21(2)18(22)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
InChIKeyDCOGEEWNMPJNBA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.91
Rot. Bonds1

About 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide

3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 14762874) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
PubChem CID14762874
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2
InChIInChI=1S/C18H24N4O2/c1-20-13-6-5-7-14(20)11-12(10-13)19-17(23)22-16-9-4-3-8-15(16)21(2)18(22)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
InChIKeyDCOGEEWNMPJNBA-UHFFFAOYSA-N
XLogP1.91
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide with MolForge

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
Bimu 1
CID 9929033
Tbpb
CID 10092649
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
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
Orphine
CID 21262767
Benzimidazolone scaffold, 15g
CID 25256850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide (CID 14762874) is 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide is CN1C2CCCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2.
What is the InChIKey of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is DCOGEEWNMPJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-13-6-5-7-14(20)11-12(10-13)19-17(23)22-16-9-4-3-8-15(16)21(2)18(22)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide?
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 14762874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).