(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one

C32H29N3O2 — CID 11123769

IUPAC(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one
SMILESO=C([C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccnc1
InChIInChI=1S/C32H29N3O2/c36-31(35-22-21-33-25-35)30(24-37-23-26-13-5-1-6-14-26)34-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,25,30,34H,23-24H2/t30-/m0/s1
InChIKeyYZAFCWUYBCCWIG-PMERELPUSA-N
MW487.60 g/mol
LogP5.69
Rot. Bonds10

About (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one

(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one (PubChem CID 11123769) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one
PubChem CID11123769
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one
SMILESO=C([C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccnc1
InChIInChI=1S/C32H29N3O2/c36-31(35-22-21-33-25-35)30(24-37-23-26-13-5-1-6-14-26)34-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,25,30,34H,23-24H2/t30-/m0/s1
InChIKeyYZAFCWUYBCCWIG-PMERELPUSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one?
The IUPAC name of (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one (CID 11123769) is (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one.
What is the SMILES notation for (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one?
The canonical SMILES for (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one is O=C([C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccnc1.
What is the InChIKey of (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one?
The InChIKey is YZAFCWUYBCCWIG-PMERELPUSA-N. The full InChI is InChI=1S/C32H29N3O2/c36-31(35-22-21-33-25-35)30(24-37-23-26-13-5-1-6-14-26)34-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,25,30,34H,23-24H2/t30-/m0/s1.
What are the key properties of (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one?
(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one has a molecular weight of 487.60 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one is sourced from PubChem (CID 11123769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).