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

C19H14N2OS — CID 828878

IUPAC3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1
InChIInChI=1S/C19H14N2OS/c22-15-9-4-8-14(12-15)19-20-17(13-6-2-1-3-7-13)18(21-19)16-10-5-11-23-16/h1-12,22H,(H,20,21)
InChIKeyBUKWBSSEHYXHML-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.18
Rot. Bonds3

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

3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (PubChem CID 828878) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
PubChem CID828878
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1
InChIInChI=1S/C19H14N2OS/c22-15-9-4-8-14(12-15)19-20-17(13-6-2-1-3-7-13)18(21-19)16-10-5-11-23-16/h1-12,22H,(H,20,21)
InChIKeyBUKWBSSEHYXHML-UHFFFAOYSA-N
XLogP5.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The IUPAC name of 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (CID 828878) is 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1.
What is the InChIKey of 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The InChIKey is BUKWBSSEHYXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-15-9-4-8-14(12-15)19-20-17(13-6-2-1-3-7-13)18(21-19)16-10-5-11-23-16/h1-12,22H,(H,20,21).
What are the key properties of 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol has a molecular weight of 318.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 828878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).