2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one

C24H24N4O2 — CID 11538592

IUPAC2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(C)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27)
InChIKeyAIBQLQGSZCUSCL-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.40
Rot. Bonds4

About 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 11538592) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID11538592
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(C)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27)
InChIKeyAIBQLQGSZCUSCL-UHFFFAOYSA-N
XLogP3.40
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one (CID 11538592) is 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one is COc1ccc(C2(c3ccc(C)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C.
What is the InChIKey of 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is AIBQLQGSZCUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27).
What are the key properties of 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(4-methyl-3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 11538592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).