(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone

C13H9FN2O2 — CID 107977441

IUPAC(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C13H9FN2O2/c1-16-6-10(15-7-16)13(17)12-5-8-4-9(14)2-3-11(8)18-12/h2-7H,1H3
InChIKeyWKEHRGQLXHPZGC-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.54
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone

(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 107977441) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID107977441
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C13H9FN2O2/c1-16-6-10(15-7-16)13(17)12-5-8-4-9(14)2-3-11(8)18-12/h2-7H,1H3
InChIKeyWKEHRGQLXHPZGC-UHFFFAOYSA-N
XLogP2.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone (CID 107977441) is (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is WKEHRGQLXHPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-16-6-10(15-7-16)13(17)12-5-8-4-9(14)2-3-11(8)18-12/h2-7H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 244.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107977441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).