2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one

C18H20N4O2 — CID 15950521

IUPAC2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one
SMILESCCCOc1cccc(C2(c3ccncc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C18H20N4O2/c1-3-11-24-15-6-4-5-14(12-15)18(13-7-9-20-10-8-13)16(23)22(2)17(19)21-18/h4-10,12H,3,11H2,1-2H3,(H2,19,21)
InChIKeyVOJYTCAJGMPRCE-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one

2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one (PubChem CID 15950521) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one
PubChem CID15950521
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one
SMILESCCCOc1cccc(C2(c3ccncc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C18H20N4O2/c1-3-11-24-15-6-4-5-14(12-15)18(13-7-9-20-10-8-13)16(23)22(2)17(19)21-18/h4-10,12H,3,11H2,1-2H3,(H2,19,21)
InChIKeyVOJYTCAJGMPRCE-UHFFFAOYSA-N
XLogP1.90
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.90
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-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one (CID 15950521) is 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one is CCCOc1cccc(C2(c3ccncc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one?
The InChIKey is VOJYTCAJGMPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-11-24-15-6-4-5-14(12-15)18(13-7-9-20-10-8-13)16(23)22(2)17(19)21-18/h4-10,12H,3,11H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one?
2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one has a molecular weight of 324.38 g/mol, XLogP of 1.90, 5 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-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 15950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).