3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid

C18H23N3O2 — CID 68611173

IUPAC3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1
InChIInChI=1S/C18H23N3O2/c22-18(23)13-5-6-16-17(11-13)21(12-19-16)15-7-9-20(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2,(H,22,23)
InChIKeyZNVXFSXWMWPDRT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.31
Rot. Bonds3

About 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid

3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid (PubChem CID 68611173) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
PubChem CID68611173
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1
InChIInChI=1S/C18H23N3O2/c22-18(23)13-5-6-16-17(11-13)21(12-19-16)15-7-9-20(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2,(H,22,23)
InChIKeyZNVXFSXWMWPDRT-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid (CID 68611173) is 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1.
What is the InChIKey of 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid?
The InChIKey is ZNVXFSXWMWPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(23)13-5-6-16-17(11-13)21(12-19-16)15-7-9-20(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2,(H,22,23).
What are the key properties of 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid?
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 68611173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).