6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

C18H17FN4O4 — CID 113195390

IUPAC6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2cc(F)ccc21)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17FN4O4/c19-12-3-4-14-13(10-12)20-18(26)23(14)11-16(24)21-5-7-22(8-6-21)17(25)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,20,26)
InChIKeyFSZMEWPCIZKFCH-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.05
Rot. Bonds3

About 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (PubChem CID 113195390) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
PubChem CID113195390
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2cc(F)ccc21)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17FN4O4/c19-12-3-4-14-13(10-12)20-18(26)23(14)11-16(24)21-5-7-22(8-6-21)17(25)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,20,26)
InChIKeyFSZMEWPCIZKFCH-UHFFFAOYSA-N
XLogP1.05
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 3943857
1-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46810764
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
3-[2-[4-[4-fluoro-2-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 91482060
(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709241
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8023929

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (CID 113195390) is 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is O=C(Cn1c(=O)[nH]c2cc(F)ccc21)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The InChIKey is FSZMEWPCIZKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c19-12-3-4-14-13(10-12)20-18(26)23(14)11-16(24)21-5-7-22(8-6-21)17(25)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,20,26).
What are the key properties of 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one has a molecular weight of 372.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 113195390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).