2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid

C13H15N3O2 — CID 82563117

IUPAC2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c17-12(18)9-4-5-10-11(8-9)15-13(14-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15)(H,17,18)
InChIKeyZDWMKZSIQPPNQU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.25
Rot. Bonds2

About 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid

2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 82563117) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID82563117
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c17-12(18)9-4-5-10-11(8-9)15-13(14-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15)(H,17,18)
InChIKeyZDWMKZSIQPPNQU-UHFFFAOYSA-N
XLogP2.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid (CID 82563117) is 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(N3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ZDWMKZSIQPPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12(18)9-4-5-10-11(8-9)15-13(14-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15)(H,17,18).
What are the key properties of 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid?
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82563117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).