2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid

C15H19N3O2 — CID 61465273

IUPAC2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1CCN(C)C1
InChIInChI=1S/C15H19N3O2/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)18(14)11-6-7-17(2)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyRAUDBJVODDRENW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds3

About 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid

2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 61465273) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
PubChem CID61465273
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1CCN(C)C1
InChIInChI=1S/C15H19N3O2/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)18(14)11-6-7-17(2)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyRAUDBJVODDRENW-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid (CID 61465273) is 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1C1CCN(C)C1.
What is the InChIKey of 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is RAUDBJVODDRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)18(14)11-6-7-17(2)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 61465273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).