3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one

C21H23N3O — CID 10735405

IUPAC3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c25-21-22-20(18-9-5-2-6-10-18)16-24(21)19-11-13-23(14-12-19)15-17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,22,25)
InChIKeyULAAUNIOEAKYBR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds4

About 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one

3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one (PubChem CID 10735405) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one
PubChem CID10735405
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c25-21-22-20(18-9-5-2-6-10-18)16-24(21)19-11-13-23(14-12-19)15-17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,22,25)
InChIKeyULAAUNIOEAKYBR-UHFFFAOYSA-N
XLogP3.68
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one (CID 10735405) is 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one is O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one?
The InChIKey is ULAAUNIOEAKYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-22-20(18-9-5-2-6-10-18)16-24(21)19-11-13-23(14-12-19)15-17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,22,25).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10735405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).