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

C18H17N3OS — CID 53183314

IUPAC1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C18H17N3OS/c22-17(12-15-8-4-11-23-15)21-10-5-9-20-13-16(19-18(20)21)14-6-2-1-3-7-14/h1-4,6-8,11,13H,5,9-10,12H2
InChIKeyVWBPQPUMOASPGB-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.59
Rot. Bonds3

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

1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone (PubChem CID 53183314) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone
PubChem CID53183314
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C18H17N3OS/c22-17(12-15-8-4-11-23-15)21-10-5-9-20-13-16(19-18(20)21)14-6-2-1-3-7-14/h1-4,6-8,11,13H,5,9-10,12H2
InChIKeyVWBPQPUMOASPGB-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone (CID 53183314) is 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCn2cc(-c3ccccc3)nc21.
What is the InChIKey of 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone?
The InChIKey is VWBPQPUMOASPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(12-15-8-4-11-23-15)21-10-5-9-20-13-16(19-18(20)21)14-6-2-1-3-7-14/h1-4,6-8,11,13H,5,9-10,12H2.
What are the key properties of 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone?
1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone has a molecular weight of 323.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 53183314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).