3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol

C20H15N3O — CID 10638921

IUPAC3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
InChIKeyKPDQHNUZQHJLSJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.51
Rot. Bonds3

About 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol

3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol (PubChem CID 10638921) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
PubChem CID10638921
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
InChIKeyKPDQHNUZQHJLSJ-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 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The IUPAC name of 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol (CID 10638921) is 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol is Oc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The InChIKey is KPDQHNUZQHJLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23).
What are the key properties of 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
3-(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 3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 10638921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).