2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C20H19N5OS — CID 56668820

IUPAC2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1
InChIInChI=1S/C20H19N5OS/c1-3-17-8-16(11-27-17)20(18(26)25(2)19(21)24-20)15-6-4-5-13(7-15)14-9-22-12-23-10-14/h4-12H,3H2,1-2H3,(H2,21,24)
InChIKeyGAYCZOAOOLHOPO-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56668820) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56668820
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1
InChIInChI=1S/C20H19N5OS/c1-3-17-8-16(11-27-17)20(18(26)25(2)19(21)24-20)15-6-4-5-13(7-15)14-9-22-12-23-10-14/h4-12H,3H2,1-2H3,(H2,21,24)
InChIKeyGAYCZOAOOLHOPO-UHFFFAOYSA-N
XLogP2.80
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56668820) is 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1.
What is the InChIKey of 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is GAYCZOAOOLHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-3-17-8-16(11-27-17)20(18(26)25(2)19(21)24-20)15-6-4-5-13(7-15)14-9-22-12-23-10-14/h4-12H,3H2,1-2H3,(H2,21,24).
What are the key properties of 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 377.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-ethylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56668820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).