2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one

C29H30N4O2 — CID 59262372

IUPAC2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22/h1-15,23H,16-21H2,(H2,30,31)
InChIKeyZCXWJKCNWQXXPX-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.57
Rot. Bonds6

About 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one

2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 59262372) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
PubChem CID59262372
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22/h1-15,23H,16-21H2,(H2,30,31)
InChIKeyZCXWJKCNWQXXPX-UHFFFAOYSA-N
XLogP3.57
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one (CID 59262372) is 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one?
The InChIKey is ZCXWJKCNWQXXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22/h1-15,23H,16-21H2,(H2,30,31).
What are the key properties of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one?
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 466.59 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 59262372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).