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

C25H26N3O5P — CID 44565717

IUPAC[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
SMILESC[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
InChIKeyKVYQKSXTMZHEPB-VWLOTQADSA-N
MW479.47 g/mol
LogP4.61
Rot. Bonds9

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

[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate (PubChem CID 44565717) has the molecular formula C25H26N3O5P and a molecular weight of 479.47 g/mol. Its IUPAC name is [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
PubChem CID44565717
Molecular FormulaC25H26N3O5P
Molecular Weight479.47 g/mol
Exact Mass479.16
IUPAC Name[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate
SMILESC[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
InChIKeyKVYQKSXTMZHEPB-VWLOTQADSA-N
XLogP4.61
TPSA130.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate (CID 44565717) is [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate is C[C@](N)(COP(=O)(O)O)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)[nH]1.
What is the InChIKey of [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
The InChIKey is KVYQKSXTMZHEPB-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1.
What are the key properties of [(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate?
[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate has a molecular weight of 479.47 g/mol, XLogP of 4.61, 9 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-[(4-phenylphenyl)methoxy]phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphate is sourced from PubChem (CID 44565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).