1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid

C14H13N3O4 — CID 115543827

IUPAC1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1C(=O)CCC(n2cnc3c(C(=O)O)cccc32)C1=O
InChIInChI=1S/C14H13N3O4/c1-16-11(18)6-5-10(13(16)19)17-7-15-12-8(14(20)21)3-2-4-9(12)17/h2-4,7,10H,5-6H2,1H3,(H,20,21)
InChIKeyHFPCXIALHNYXGH-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.05
Rot. Bonds2

About 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid

1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543827) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115543827
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1C(=O)CCC(n2cnc3c(C(=O)O)cccc32)C1=O
InChIInChI=1S/C14H13N3O4/c1-16-11(18)6-5-10(13(16)19)17-7-15-12-8(14(20)21)3-2-4-9(12)17/h2-4,7,10H,5-6H2,1H3,(H,20,21)
InChIKeyHFPCXIALHNYXGH-UHFFFAOYSA-N
XLogP1.05
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933547
1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543746
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543899
1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115543379
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid (CID 115543827) is 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid is CN1C(=O)CCC(n2cnc3c(C(=O)O)cccc32)C1=O.
What is the InChIKey of 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is HFPCXIALHNYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-16-11(18)6-5-10(13(16)19)17-7-15-12-8(14(20)21)3-2-4-9(12)17/h2-4,7,10H,5-6H2,1H3,(H,20,21).
What are the key properties of 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).