[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone

C17H14FN3OS — CID 53183376

IUPAC[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C17H14FN3OS/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2
InChIKeyPIJKNRHCZZYASL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.80
Rot. Bonds2

About [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone

[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone (PubChem CID 53183376) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone
PubChem CID53183376
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C17H14FN3OS/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2
InChIKeyPIJKNRHCZZYASL-UHFFFAOYSA-N
XLogP3.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone (CID 53183376) is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone?
The InChIKey is PIJKNRHCZZYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2.
What are the key properties of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone?
[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53183376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).