2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one

C18H15N5OS — CID 56658436

IUPAC2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,15-5-6-25-10-15)14-4-2-3-12(7-14)13-8-20-11-21-9-13/h2-11H,1H3,(H2,19,22)
InChIKeyGCIHPVGAAJVLEF-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one

2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one (PubChem CID 56658436) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one
PubChem CID56658436
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,15-5-6-25-10-15)14-4-2-3-12(7-14)13-8-20-11-21-9-13/h2-11H,1H3,(H2,19,22)
InChIKeyGCIHPVGAAJVLEF-UHFFFAOYSA-N
XLogP2.24
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one (CID 56658436) is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one is CN1C(=O)C(c2ccsc2)(c2cccc(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one?
The InChIKey is GCIHPVGAAJVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,15-5-6-25-10-15)14-4-2-3-12(7-14)13-8-20-11-21-9-13/h2-11H,1H3,(H2,19,22).
What are the key properties of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one?
2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one has a molecular weight of 349.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-thiophen-3-ylimidazol-4-one is sourced from PubChem (CID 56658436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).