1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone

C18H16FN3OS — CID 53183371

IUPAC1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C18H16FN3OS/c19-15-7-2-1-6-14(15)16-12-21-8-4-9-22(18(21)20-16)17(23)11-13-5-3-10-24-13/h1-3,5-7,10,12H,4,8-9,11H2
InChIKeyIXOIPIUFKOFWLB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.73
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone

1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone (PubChem CID 53183371) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone
PubChem CID53183371
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C18H16FN3OS/c19-15-7-2-1-6-14(15)16-12-21-8-4-9-22(18(21)20-16)17(23)11-13-5-3-10-24-13/h1-3,5-7,10,12H,4,8-9,11H2
InChIKeyIXOIPIUFKOFWLB-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone (CID 53183371) is 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone?
The InChIKey is IXOIPIUFKOFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-15-7-2-1-6-14(15)16-12-21-8-4-9-22(18(21)20-16)17(23)11-13-5-3-10-24-13/h1-3,5-7,10,12H,4,8-9,11H2.
What are the key properties of 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone?
1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone has a molecular weight of 341.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53183371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).