3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol

C18H14N4O — CID 56880849

IUPAC3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C18H14N4O/c23-16-6-2-4-14(12-16)18-19-9-10-22(18)15-5-1-3-13(11-15)17-7-8-20-21-17/h1-12,23H,(H,20,21)
InChIKeyMOGQVCSAFHMCGH-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.63
Rot. Bonds3

About 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol

3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol (PubChem CID 56880849) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol
PubChem CID56880849
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C18H14N4O/c23-16-6-2-4-14(12-16)18-19-9-10-22(18)15-5-1-3-13(11-15)17-7-8-20-21-17/h1-12,23H,(H,20,21)
InChIKeyMOGQVCSAFHMCGH-UHFFFAOYSA-N
XLogP3.63
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol?
The IUPAC name of 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol (CID 56880849) is 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol.
What is the SMILES notation for 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol?
The canonical SMILES for 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol is Oc1cccc(-c2nccn2-c2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol?
The InChIKey is MOGQVCSAFHMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-16-6-2-4-14(12-16)18-19-9-10-22(18)15-5-1-3-13(11-15)17-7-8-20-21-17/h1-12,23H,(H,20,21).
What are the key properties of 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol?
3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1H-pyrazol-5-yl)phenyl]imidazol-2-yl]phenol is sourced from PubChem (CID 56880849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).