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

C17H15N3OS — CID 53183321

IUPAC(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C17H15N3OS/c21-16(14-7-10-22-12-14)20-9-4-8-19-11-15(18-17(19)20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2
InChIKeyJHPQQVIYVYXKJB-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.66
Rot. Bonds2

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

(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone (PubChem CID 53183321) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone
PubChem CID53183321
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C17H15N3OS/c21-16(14-7-10-22-12-14)20-9-4-8-19-11-15(18-17(19)20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2
InChIKeyJHPQQVIYVYXKJB-UHFFFAOYSA-N
XLogP3.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone (CID 53183321) is (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCn2cc(-c3ccccc3)nc21.
What is the InChIKey of (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone?
The InChIKey is JHPQQVIYVYXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(14-7-10-22-12-14)20-9-4-8-19-11-15(18-17(19)20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2.
What are the key properties of (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone?
(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 53183321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).