4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

C21H14N2O — CID 763555

IUPAC4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H14N2O/c24-14-11-9-13(10-12-14)21-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)23-21/h1-12,24H,(H,22,23)
InChIKeyNUOFJBUSGFTERU-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.24
Rot. Bonds1

About 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 763555) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID763555
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H14N2O/c24-14-11-9-13(10-12-14)21-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)23-21/h1-12,24H,(H,22,23)
InChIKeyNUOFJBUSGFTERU-UHFFFAOYSA-N
XLogP5.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (CID 763555) is 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is Oc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.
What is the InChIKey of 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is NUOFJBUSGFTERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c24-14-11-9-13(10-12-14)21-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)23-21/h1-12,24H,(H,22,23).
What are the key properties of 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 310.36 g/mol, XLogP of 5.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 763555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).