4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol

C20H15N3O — CID 135513879

IUPAC4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H15N3O/c24-17-8-6-14(7-9-17)18-19(15-10-12-21-13-11-15)23-20(22-18)16-4-2-1-3-5-16/h1-13,24H,(H,22,23)
InChIKeyPAXXIJHKIXSMOM-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.51
Rot. Bonds3

About 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol

4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol (PubChem CID 135513879) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
PubChem CID135513879
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H15N3O/c24-17-8-6-14(7-9-17)18-19(15-10-12-21-13-11-15)23-20(22-18)16-4-2-1-3-5-16/h1-13,24H,(H,22,23)
InChIKeyPAXXIJHKIXSMOM-UHFFFAOYSA-N
XLogP4.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The IUPAC name of 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol (CID 135513879) is 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol is Oc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The InChIKey is PAXXIJHKIXSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-17-8-6-14(7-9-17)18-19(15-10-12-21-13-11-15)23-20(22-18)16-4-2-1-3-5-16/h1-13,24H,(H,22,23).
What are the key properties of 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol has a molecular weight of 313.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 135513879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).