2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine

C20H16IrN3O- — CID 162465598

IUPAC2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine
SMILESOc1ccccc1-c1c[nH]cn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C9H8N2O.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-9-4-2-1-3-7(9)8-5-10-6-11-8;/h1-6,8-9H;1-6,12H,(H,10,11);/q-1;;
InChIKeyNNZXRQFDMDJIHY-UHFFFAOYSA-N
MW506.59 g/mol
LogP4.33
Rot. Bonds2

About 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine

2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine (PubChem CID 162465598) has the molecular formula C20H16IrN3O- and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine
PubChem CID162465598
Molecular FormulaC20H16IrN3O-
Molecular Weight506.59 g/mol
Exact Mass507.09
IUPAC Name2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine
SMILESOc1ccccc1-c1c[nH]cn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C9H8N2O.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-9-4-2-1-3-7(9)8-5-10-6-11-8;/h1-6,8-9H;1-6,12H,(H,10,11);/q-1;;
InChIKeyNNZXRQFDMDJIHY-UHFFFAOYSA-N
XLogP4.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
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CID 10638921
2-(1H-imidazol-4-yl)phenol
CID 10307884
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-phenol
CID 135513879
4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619909
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
2-{7-Methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 3489129
2-{6-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 15989666

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine?
The IUPAC name of 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine (CID 162465598) is 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine?
The canonical SMILES for 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine is Oc1ccccc1-c1c[nH]cn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine?
The InChIKey is NNZXRQFDMDJIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C9H8N2O.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-9-4-2-1-3-7(9)8-5-10-6-11-8;/h1-6,8-9H;1-6,12H,(H,10,11);/q-1;;.
What are the key properties of 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine?
2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine has a molecular weight of 506.59 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-4-yl)phenol;iridium;2-phenylpyridine is sourced from PubChem (CID 162465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).