2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol

C20H15N3O2 — CID 135859941

IUPAC2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccn2)[nH]c1-c1ccccc1O
InChIInChI=1S/C20H15N3O2/c24-16-10-3-1-7-13(16)18-19(14-8-2-4-11-17(14)25)23-20(22-18)15-9-5-6-12-21-15/h1-12,24-25H,(H,22,23)
InChIKeyLAWYEDBXOJEDHF-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.22
Rot. Bonds3

About 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol

2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol (PubChem CID 135859941) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
PubChem CID135859941
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccn2)[nH]c1-c1ccccc1O
InChIInChI=1S/C20H15N3O2/c24-16-10-3-1-7-13(16)18-19(14-8-2-4-11-17(14)25)23-20(22-18)15-9-5-6-12-21-15/h1-12,24-25H,(H,22,23)
InChIKeyLAWYEDBXOJEDHF-UHFFFAOYSA-N
XLogP4.22
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol (CID 135859941) is 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol is Oc1ccccc1-c1nc(-c2ccccn2)[nH]c1-c1ccccc1O.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol?
The InChIKey is LAWYEDBXOJEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-16-10-3-1-7-13(16)18-19(14-8-2-4-11-17(14)25)23-20(22-18)15-9-5-6-12-21-15/h1-12,24-25H,(H,22,23).
What are the key properties of 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol?
2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 135859941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).