1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol

C19H13FN2O2 — CID 54194535

IUPAC1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(F)cc1)(c1cncnc1)c1cc2ccccc2o1
InChIInChI=1S/C19H13FN2O2/c20-16-7-5-14(6-8-16)19(23,15-10-21-12-22-11-15)18-9-13-3-1-2-4-17(13)24-18/h1-12,23H
InChIKeyPKWIHJZMNCVWQN-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.65
Rot. Bonds3

About 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol

1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 54194535) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID54194535
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(F)cc1)(c1cncnc1)c1cc2ccccc2o1
InChIInChI=1S/C19H13FN2O2/c20-16-7-5-14(6-8-16)19(23,15-10-21-12-22-11-15)18-9-13-3-1-2-4-17(13)24-18/h1-12,23H
InChIKeyPKWIHJZMNCVWQN-UHFFFAOYSA-N
XLogP3.65
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol (CID 54194535) is 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol is OC(c1ccc(F)cc1)(c1cncnc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is PKWIHJZMNCVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-16-7-5-14(6-8-16)19(23,15-10-21-12-22-11-15)18-9-13-3-1-2-4-17(13)24-18/h1-12,23H.
What are the key properties of 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol?
1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 320.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-fluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 54194535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).