2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one

C30H27N3O3 — CID 130406659

IUPAC2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one
SMILESN[C@H](Cn1ccnc1-c1occc(=O)c1OCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N3O3/c31-25(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-33-18-17-32-30(33)29-28(26(34)16-19-35-29)36-21-22-10-4-1-5-11-22/h1-19,25,27H,20-21,31H2/t25-/m1/s1
InChIKeyDHGCMRLWAOWZQQ-RUZDIDTESA-N
MW477.56 g/mol
LogP5.24
Rot. Bonds9

About 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one

2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one (PubChem CID 130406659) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one
PubChem CID130406659
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one
SMILESN[C@H](Cn1ccnc1-c1occc(=O)c1OCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N3O3/c31-25(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-33-18-17-32-30(33)29-28(26(34)16-19-35-29)36-21-22-10-4-1-5-11-22/h1-19,25,27H,20-21,31H2/t25-/m1/s1
InChIKeyDHGCMRLWAOWZQQ-RUZDIDTESA-N
XLogP5.24
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one with MolForge

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Related Compounds

tert-butyl (3S)-3-[[2-(4-oxo-3-phenylmethoxypyran-2-yl)imidazol-1-yl]methyl]-4,4-diphenylbutanoate
CID 162089490
[3-[5-bromo-2-(4-oxo-3-phenylmethoxypyran-2-yl)imidazol-1-yl]-1,1-diphenylpropan-2-yl]carbamic acid
CID 130406747
tert-butyl N-[3-[2-(4-oxo-3-phenylmethoxypyran-2-yl)imidazol-1-yl]-1,1-diphenylprop-1-en-2-yl]carbamate
CID 175131636
[(2S)-3-[5-iodo-2-(4-oxo-3-phenylmethoxypyran-2-yl)imidazol-1-yl]-1,1-diphenylpropan-2-yl] N-tert-butylcarbamate
CID 175128627
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
(8S)-8-benzhydryl-13-hydroxy-5-(trifluoromethyl)-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;copper;2-[5-iodo-1-[(2S)-2-methyl-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one;2-[1-[(2S)-2-methyl-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one;2-[1-[(2S)-2-methyl-3,3-diphenylpropyl]-5-(trifluoromethyl)imidazol-2-yl]-3-phenylmethoxypyran-4-one;1,10-phenanthroline-1,10-diide;trifluoromethane
CID 158840401
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
2-[[1-(aminomethyl)cyclopropyl]-hydroxymethyl]-3-phenylmethoxypyran-4-one
CID 166874307
2-[hydroxy(thiophen-2-yl)methyl]-3-phenylmethoxypyran-4-one
CID 21474413
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560096
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one?
The IUPAC name of 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one (CID 130406659) is 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one?
The canonical SMILES for 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one is N[C@H](Cn1ccnc1-c1occc(=O)c1OCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one?
The InChIKey is DHGCMRLWAOWZQQ-RUZDIDTESA-N. The full InChI is InChI=1S/C30H27N3O3/c31-25(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-33-18-17-32-30(33)29-28(26(34)16-19-35-29)36-21-22-10-4-1-5-11-22/h1-19,25,27H,20-21,31H2/t25-/m1/s1.
What are the key properties of 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one?
2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one has a molecular weight of 477.56 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-amino-3,3-diphenylpropyl]imidazol-2-yl]-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 130406659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).