2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum

C25H18N3OPt- — CID 171732517

IUPAC2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
SMILESCn1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)nc1-c1ccccc1O.[Pt]
InChIInChI=1S/C25H18N3O.Pt/c1-28-16-22(27-25(28)20-13-7-8-14-23(20)29)24-19-12-6-5-11-18(19)15-21(26-24)17-9-3-2-4-10-17;/h2-9,11-16,29H,1H3;/q-1;
InChIKeyHAYAXOHAZLQEEV-UHFFFAOYSA-N
MW571.52 g/mol
LogP5.47
Rot. Bonds3

About 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum

2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum (PubChem CID 171732517) has the molecular formula C25H18N3OPt- and a molecular weight of 571.52 g/mol. Its IUPAC name is 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
PubChem CID171732517
Molecular FormulaC25H18N3OPt-
Molecular Weight571.52 g/mol
Exact Mass571.11
IUPAC Name2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
SMILESCn1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)nc1-c1ccccc1O.[Pt]
InChIInChI=1S/C25H18N3O.Pt/c1-28-16-22(27-25(28)20-13-7-8-14-23(20)29)24-19-12-6-5-11-18(19)15-21(26-24)17-9-3-2-4-10-17;/h2-9,11-16,29H,1H3;/q-1;
InChIKeyHAYAXOHAZLQEEV-UHFFFAOYSA-N
XLogP5.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 171732550
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
CID 171732512
1-chloro-3-phenylisoquinoline;tungsten
CID 59216563
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
CID 168843856
iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 59622068
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
iridium;1-phenyl-3-propylisoquinoline
CID 58850587
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
CID 171420134
iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506604
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum (CID 171732517) is 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum is Cn1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)nc1-c1ccccc1O.[Pt].
What is the InChIKey of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum?
The InChIKey is HAYAXOHAZLQEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N3O.Pt/c1-28-16-22(27-25(28)20-13-7-8-14-23(20)29)24-19-12-6-5-11-18(19)15-21(26-24)17-9-3-2-4-10-17;/h2-9,11-16,29H,1H3;/q-1;.
What are the key properties of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum?
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum has a molecular weight of 571.52 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171732517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).