3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one

C12H17N3O — CID 69172167

IUPAC3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1C1CCNCC1)CCC=C2
InChIInChI=1S/C12H17N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1,3,9,13H,2,4-8H2,(H,14,16)
InChIKeyMCSFUWOTYWTKOU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.06
Rot. Bonds1

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

3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one (PubChem CID 69172167) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one
PubChem CID69172167
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1C1CCNCC1)CCC=C2
InChIInChI=1S/C12H17N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1,3,9,13H,2,4-8H2,(H,14,16)
InChIKeyMCSFUWOTYWTKOU-UHFFFAOYSA-N
XLogP1.06
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one (CID 69172167) is 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one is O=c1[nH]c2c(n1C1CCNCC1)CCC=C2.
What is the InChIKey of 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one?
The InChIKey is MCSFUWOTYWTKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1,3,9,13H,2,4-8H2,(H,14,16).
What are the key properties of 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one?
3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4,5-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 69172167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).