2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one

C19H16N4OS — CID 15950518

IUPAC2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3ccsc3)c2)N=C1N
InChIInChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)
InChIKeyLNJSOHPMNUFUKA-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one

2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one (PubChem CID 15950518) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one
PubChem CID15950518
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3ccsc3)c2)N=C1N
InChIInChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)
InChIKeyLNJSOHPMNUFUKA-UHFFFAOYSA-N
XLogP2.84
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one (CID 15950518) is 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccncc2)(c2cccc(-c3ccsc3)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one?
The InChIKey is LNJSOHPMNUFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22).
What are the key properties of 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one has a molecular weight of 348.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-pyridin-4-yl-5-(3-thiophen-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 15950518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).