[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate

C18H19N2O7P — CID 77050797

IUPAC[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate
SMILESCOc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC)c(OP(=O)(O)O)c2)c1
InChIInChI=1S/C18H19N2O7P/c1-24-13-6-12(7-14(9-13)25-2)18-17(19-10-20-18)11-4-5-15(26-3)16(8-11)27-28(21,22)23/h4-10H,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyHKXVABUWEZYJDF-UHFFFAOYSA-N
MW406.33 g/mol
LogP3.24
Rot. Bonds7

About [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate

[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate (PubChem CID 77050797) has the molecular formula C18H19N2O7P and a molecular weight of 406.33 g/mol. Its IUPAC name is [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate
PubChem CID77050797
Molecular FormulaC18H19N2O7P
Molecular Weight406.33 g/mol
Exact Mass406.09
IUPAC Name[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate
SMILESCOc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC)c(OP(=O)(O)O)c2)c1
InChIInChI=1S/C18H19N2O7P/c1-24-13-6-12(7-14(9-13)25-2)18-17(19-10-20-18)11-4-5-15(26-3)16(8-11)27-28(21,22)23/h4-10H,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyHKXVABUWEZYJDF-UHFFFAOYSA-N
XLogP3.24
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] phosphate
CID 77050796
2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
CID 90115088
4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline
CID 90115395
[2-methoxy-5-(1,2-thiazol-3-yl)phenyl] dihydrogen phosphate
CID 123943271
4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
CID 90115310
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
[4-[4-[4-(dimethylamino)phenyl]-5-methyl-1H-imidazol-2-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 19095145
[4-[9-[3-methoxy-5-[9-(4-methoxyphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl] dihydrogen phosphate
CID 118445441
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 59430247
[4-[6-(4-chlorophenyl)-2-oxo-1H-pyrimidin-4-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 145440681

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate?
The IUPAC name of [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate (CID 77050797) is [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate.
What is the SMILES notation for [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate?
The canonical SMILES for [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate is COc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC)c(OP(=O)(O)O)c2)c1.
What is the InChIKey of [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate?
The InChIKey is HKXVABUWEZYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O7P/c1-24-13-6-12(7-14(9-13)25-2)18-17(19-10-20-18)11-4-5-15(26-3)16(8-11)27-28(21,22)23/h4-10H,1-3H3,(H,19,20)(H2,21,22,23).
What are the key properties of [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate?
[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate has a molecular weight of 406.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 77050797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).