2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine

C19H13FN2O — CID 54374256

IUPAC2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
SMILESFc1ccc(Cc2ncccn2)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C19H13FN2O/c20-15-7-6-13(11-19-21-8-3-9-22-19)16(12-15)18-10-14-4-1-2-5-17(14)23-18/h1-10,12H,11H2
InChIKeyUVJIPABYLOCCPX-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.62
Rot. Bonds3

About 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine

2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine (PubChem CID 54374256) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
PubChem CID54374256
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
SMILESFc1ccc(Cc2ncccn2)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C19H13FN2O/c20-15-7-6-13(11-19-21-8-3-9-22-19)16(12-15)18-10-14-4-1-2-5-17(14)23-18/h1-10,12H,11H2
InChIKeyUVJIPABYLOCCPX-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
CID 90751232
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476
1-(fluoromethyl)xanthen-3-one
CID 175090220
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
CID 4253035
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
4-(1-benzofuran-2-yl)-6-fluoroisoquinoline;4-(1-benzofuran-2-yl)-6-(pyridin-4-ylmethoxy)isoquinoline;pyridin-4-ylmethanamine
CID 162136739

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine?
The IUPAC name of 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine (CID 54374256) is 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine?
The canonical SMILES for 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine is Fc1ccc(Cc2ncccn2)c(-c2cc3ccccc3o2)c1.
What is the InChIKey of 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine?
The InChIKey is UVJIPABYLOCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-15-7-6-13(11-19-21-8-3-9-22-19)16(12-15)18-10-14-4-1-2-5-17(14)23-18/h1-10,12H,11H2.
What are the key properties of 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine?
2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine has a molecular weight of 304.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine is sourced from PubChem (CID 54374256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).