1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C24H23FN6O2S — CID 24937884

IUPAC1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESCCOc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12
InChIInChI=1S/C24H23FN6O2S/c1-2-33-19-14-26-7-6-16(19)17-5-3-4-15-12-20(34-22(15)17)21-18(25)13-29-23(30-21)27-8-10-31-11-9-28-24(31)32/h3-7,12-14H,2,8-11H2,1H3,(H,28,32)(H,27,29,30)
InChIKeyNMLWDOAOIXAWTO-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.40
Rot. Bonds8

About 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 24937884) has the molecular formula C24H23FN6O2S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID24937884
Molecular FormulaC24H23FN6O2S
Molecular Weight478.55 g/mol
Exact Mass478.16
IUPAC Name1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESCCOc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12
InChIInChI=1S/C24H23FN6O2S/c1-2-33-19-14-26-7-6-16(19)17-5-3-4-15-12-20(34-22(15)17)21-18(25)13-29-23(30-21)27-8-10-31-11-9-28-24(31)32/h3-7,12-14H,2,8-11H2,1H3,(H,28,32)(H,27,29,30)
InChIKeyNMLWDOAOIXAWTO-UHFFFAOYSA-N
XLogP4.40
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 24937884) is 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is CCOc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12.
What is the InChIKey of 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is NMLWDOAOIXAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2S/c1-2-33-19-14-26-7-6-16(19)17-5-3-4-15-12-20(34-22(15)17)21-18(25)13-29-23(30-21)27-8-10-31-11-9-28-24(31)32/h3-7,12-14H,2,8-11H2,1H3,(H,28,32)(H,27,29,30).
What are the key properties of 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 478.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[7-(3-ethoxy-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24937884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).