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

C13H15N3O2 — CID 83424440

IUPAC2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)8-3-4-10-11(6-8)16-12(15-10)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)(H,17,18)
InChIKeyUAEWLPKXKSDOMS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds2

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

2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 83424440) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID83424440
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)8-3-4-10-11(6-8)16-12(15-10)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)(H,17,18)
InChIKeyUAEWLPKXKSDOMS-UHFFFAOYSA-N
XLogP1.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid (CID 83424440) is 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(C3CCCNC3)[nH]c2c1.
What is the InChIKey of 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is UAEWLPKXKSDOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)8-3-4-10-11(6-8)16-12(15-10)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid?
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83424440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).