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

C18H17N3O2S — CID 53183354

IUPAC[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc(-c2cn3c(n2)N(C(=O)c2cccs2)CCC3)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2-3,5-7,10-12H,4,8-9H2,1H3
InChIKeyIATBLVGKKDQFJF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.67
Rot. Bonds3

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

[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone (PubChem CID 53183354) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone
PubChem CID53183354
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc(-c2cn3c(n2)N(C(=O)c2cccs2)CCC3)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2-3,5-7,10-12H,4,8-9H2,1H3
InChIKeyIATBLVGKKDQFJF-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone (CID 53183354) is [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone is COc1cccc(-c2cn3c(n2)N(C(=O)c2cccs2)CCC3)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone?
The InChIKey is IATBLVGKKDQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2-3,5-7,10-12H,4,8-9H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone?
[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 53183354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).