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

C15H15N3O2S — CID 59772728

IUPAC2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
SMILESCOc1cccc(C2(c3cccs3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C15H15N3O2S/c1-18-13(19)15(17-14(18)16,12-7-4-8-21-12)10-5-3-6-11(9-10)20-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyFHDCUKNPCPWPPR-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.79
Rot. Bonds3

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

2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one (PubChem CID 59772728) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
PubChem CID59772728
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
SMILESCOc1cccc(C2(c3cccs3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C15H15N3O2S/c1-18-13(19)15(17-14(18)16,12-7-4-8-21-12)10-5-3-6-11(9-10)20-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyFHDCUKNPCPWPPR-UHFFFAOYSA-N
XLogP1.79
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one (CID 59772728) is 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one is COc1cccc(C2(c3cccs3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one?
The InChIKey is FHDCUKNPCPWPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-13(19)15(17-14(18)16,12-7-4-8-21-12)10-5-3-6-11(9-10)20-2/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one?
2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one has a molecular weight of 301.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 59772728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).