[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate

C26H28N3O5P — CID 44565716

IUPAC[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
SMILESC[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
InChIKeyYWXALJUJDPVVHS-SANMLTNESA-N
MW493.50 g/mol
LogP4.65
Rot. Bonds10

About [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate

[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate (PubChem CID 44565716) has the molecular formula C26H28N3O5P and a molecular weight of 493.50 g/mol. Its IUPAC name is [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
PubChem CID44565716
Molecular FormulaC26H28N3O5P
Molecular Weight493.50 g/mol
Exact Mass493.18
IUPAC Name[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
SMILESC[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
InChIKeyYWXALJUJDPVVHS-SANMLTNESA-N
XLogP4.65
TPSA130.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
(R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 25008420
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
(R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44591265
[(2R)-2-amino-2-[5-methyl-4-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
CID 58724972
[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl] dihydrogen phosphate
CID 58724992
(E)-SB-590885
CID 135421339
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate (CID 44565716) is [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate is C[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)[nH]1.
What is the InChIKey of [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The InChIKey is YWXALJUJDPVVHS-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1.
What are the key properties of [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
[(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate has a molecular weight of 493.50 g/mol, XLogP of 4.65, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-2-[5-[4-[2-(4-phenylphenyl)ethoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate is sourced from PubChem (CID 44565716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).