1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid

C15H19N3O3 — CID 114504427

IUPAC1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCC1CN(C)CCC1n1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19N3O3/c1-9-8-17(2)6-5-12(9)18-13-4-3-10(14(19)20)7-11(13)16-15(18)21/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyMSKHJPCOWGSDLM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.54
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid

1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 114504427) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID114504427
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCC1CN(C)CCC1n1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19N3O3/c1-9-8-17(2)6-5-12(9)18-13-4-3-10(14(19)20)7-11(13)16-15(18)21/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyMSKHJPCOWGSDLM-UHFFFAOYSA-N
XLogP1.54
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 114504427) is 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid is CC1CN(C)CCC1n1c(=O)[nH]c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is MSKHJPCOWGSDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-8-17(2)6-5-12(9)18-13-4-3-10(14(19)20)7-11(13)16-15(18)21/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114504427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).