5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one

C13H17N3O2 — CID 22928792

IUPAC5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCNCC3)c2c1
InChIInChI=1S/C13H17N3O2/c1-18-10-2-3-11-12(8-10)16(13(17)15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,17)
InChIKeyOFCZDFHSQLTWLT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.26
Rot. Bonds2

About 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one

5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one (PubChem CID 22928792) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
PubChem CID22928792
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCNCC3)c2c1
InChIInChI=1S/C13H17N3O2/c1-18-10-2-3-11-12(8-10)16(13(17)15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,17)
InChIKeyOFCZDFHSQLTWLT-UHFFFAOYSA-N
XLogP1.26
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one (CID 22928792) is 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one is COc1ccc2[nH]c(=O)n(C3CCNCC3)c2c1.
What is the InChIKey of 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The InChIKey is OFCZDFHSQLTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-10-2-3-11-12(8-10)16(13(17)15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 22928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).