1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one

C17H14FN3OS — CID 59636222

IUPAC1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
SMILESCc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12
InChIInChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyIEDBHAALQSYAKF-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.19
Rot. Bonds2

About 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one

1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one (PubChem CID 59636222) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
PubChem CID59636222
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
SMILESCc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12
InChIInChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyIEDBHAALQSYAKF-UHFFFAOYSA-N
XLogP4.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one (CID 59636222) is 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one is Cc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The InChIKey is IEDBHAALQSYAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one is sourced from PubChem (CID 59636222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).