1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one

C22H23N3O — CID 72856521

IUPAC1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one
SMILESCc1cnc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)[nH]1
InChIInChI=1S/C22H23N3O/c1-17-14-23-20(24-17)15-25-16-22(13-12-21(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3,(H,23,24)
InChIKeyJTFOVUICSDPBTO-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.83
Rot. Bonds4

About 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one

1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one (PubChem CID 72856521) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one
PubChem CID72856521
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one
SMILESCc1cnc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)[nH]1
InChIInChI=1S/C22H23N3O/c1-17-14-23-20(24-17)15-25-16-22(13-12-21(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3,(H,23,24)
InChIKeyJTFOVUICSDPBTO-UHFFFAOYSA-N
XLogP3.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one (CID 72856521) is 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one is Cc1cnc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one?
The InChIKey is JTFOVUICSDPBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-14-23-20(24-17)15-25-16-22(13-12-21(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3,(H,23,24).
What are the key properties of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one?
1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 72856521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).