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

C29H31N5O2 — CID 70304549

IUPAC2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C29H31N5O2/c30-25(22-10-4-1-5-11-22)26(35)33-18-16-21(17-19-33)20-34-27(36)29(32-28(34)31,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20,30H2,(H2,31,32)/t25-/m0/s1
InChIKeyRQGROAYGXSJQOK-VWLOTQADSA-N
MW481.60 g/mol
LogP3.03
Rot. Bonds6

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

2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 70304549) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID70304549
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C29H31N5O2/c30-25(22-10-4-1-5-11-22)26(35)33-18-16-21(17-19-33)20-34-27(36)29(32-28(34)31,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20,30H2,(H2,31,32)/t25-/m0/s1
InChIKeyRQGROAYGXSJQOK-VWLOTQADSA-N
XLogP3.03
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one (CID 70304549) is 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is RQGROAYGXSJQOK-VWLOTQADSA-N. The full InChI is InChI=1S/C29H31N5O2/c30-25(22-10-4-1-5-11-22)26(35)33-18-16-21(17-19-33)20-34-27(36)29(32-28(34)31,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20,30H2,(H2,31,32)/t25-/m0/s1.
What are the key properties of 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 481.60 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 70304549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).