2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine

C27H22N3O2P — CID 153495046

IUPAC2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
SMILESCN1C=CN(c2cccc(P3c4ccccc4Oc4ccc(Oc5ccccn5)cc43)c2)C1
InChIInChI=1S/C27H22N3O2P/c1-29-15-16-30(19-29)20-7-6-8-22(17-20)33-25-10-3-2-9-23(25)32-24-13-12-21(18-26(24)33)31-27-11-4-5-14-28-27/h2-18H,19H2,1H3
InChIKeyACZQPFMTDYHZSJ-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.92
Rot. Bonds4

About 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine

2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine (PubChem CID 153495046) has the molecular formula C27H22N3O2P and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine.

Molecular Properties

Compound Name2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
PubChem CID153495046
Molecular FormulaC27H22N3O2P
Molecular Weight451.47 g/mol
Exact Mass451.14
IUPAC Name2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
SMILESCN1C=CN(c2cccc(P3c4ccccc4Oc4ccc(Oc5ccccn5)cc43)c2)C1
InChIInChI=1S/C27H22N3O2P/c1-29-15-16-30(19-29)20-7-6-8-22(17-20)33-25-10-3-2-9-23(25)32-24-13-12-21(18-26(24)33)31-27-11-4-5-14-28-27/h2-18H,19H2,1H3
InChIKeyACZQPFMTDYHZSJ-UHFFFAOYSA-N
XLogP4.92
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
CID 153494999
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]-3H-imidazo[1,5-a]pyridine
CID 153428414
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
CID 140593834
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine
CID 140819108
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877

Frequently Asked Questions

What is the IUPAC name of 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine?
The IUPAC name of 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine (CID 153495046) is 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine.
What is the SMILES notation for 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine?
The canonical SMILES for 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine is CN1C=CN(c2cccc(P3c4ccccc4Oc4ccc(Oc5ccccn5)cc43)c2)C1.
What is the InChIKey of 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine?
The InChIKey is ACZQPFMTDYHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N3O2P/c1-29-15-16-30(19-29)20-7-6-8-22(17-20)33-25-10-3-2-9-23(25)32-24-13-12-21(18-26(24)33)31-27-11-4-5-14-28-27/h2-18H,19H2,1H3.
What are the key properties of 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine?
2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine has a molecular weight of 451.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine is sourced from PubChem (CID 153495046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).