2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

C22H20N4O2 — CID 15951489

IUPAC2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)
InChIKeyPVTVKIDYHUXCHW-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (PubChem CID 15951489) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
PubChem CID15951489
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)
InChIKeyPVTVKIDYHUXCHW-UHFFFAOYSA-N
XLogP2.79
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.79
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-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (CID 15951489) is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The InChIKey is PVTVKIDYHUXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25).
What are the key properties of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 15951489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).