4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one

C15H17N3O — CID 67298637

IUPAC4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one
SMILESC=CC(c1cccc2c1=NC(=O)N=2)N1CCCCC1
InChIInChI=1S/C15H17N3O/c1-2-13(18-9-4-3-5-10-18)11-7-6-8-12-14(11)17-15(19)16-12/h2,6-8,13H,1,3-5,9-10H2
InChIKeyVXHUCAHUUBYYEU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.77
Rot. Bonds3

About 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one

4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one (PubChem CID 67298637) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one
PubChem CID67298637
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one
SMILESC=CC(c1cccc2c1=NC(=O)N=2)N1CCCCC1
InChIInChI=1S/C15H17N3O/c1-2-13(18-9-4-3-5-10-18)11-7-6-8-12-14(11)17-15(19)16-12/h2,6-8,13H,1,3-5,9-10H2
InChIKeyVXHUCAHUUBYYEU-UHFFFAOYSA-N
XLogP1.77
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one?
The IUPAC name of 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one (CID 67298637) is 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one.
What is the SMILES notation for 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one?
The canonical SMILES for 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one is C=CC(c1cccc2c1=NC(=O)N=2)N1CCCCC1.
What is the InChIKey of 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one?
The InChIKey is VXHUCAHUUBYYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-13(18-9-4-3-5-10-18)11-7-6-8-12-14(11)17-15(19)16-12/h2,6-8,13H,1,3-5,9-10H2.
What are the key properties of 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one?
4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-1-ylprop-2-enyl)benzimidazol-2-one is sourced from PubChem (CID 67298637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).