1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one

C21H21N3O — CID 72925082

IUPAC1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)(c2ccccc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C21H21N3O/c25-20-11-12-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-24(20)15-19-22-13-14-23-19/h1-10,13-14H,11-12,15-16H2,(H,22,23)
InChIKeyBMJODSQIKMENCD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.52
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one

1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one (PubChem CID 72925082) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one
PubChem CID72925082
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)(c2ccccc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C21H21N3O/c25-20-11-12-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-24(20)15-19-22-13-14-23-19/h1-10,13-14H,11-12,15-16H2,(H,22,23)
InChIKeyBMJODSQIKMENCD-UHFFFAOYSA-N
XLogP3.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one (CID 72925082) is 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one is O=C1CCC(c2ccccc2)(c2ccccc2)CN1Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one?
The InChIKey is BMJODSQIKMENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20-11-12-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-24(20)15-19-22-13-14-23-19/h1-10,13-14H,11-12,15-16H2,(H,22,23).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one?
1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 72925082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).