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

C25H26N4O3 — CID 11539235

IUPAC2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC(C)C
InChIInChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28)
InChIKeyWTQARMXDFIUYMM-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.57
Rot. Bonds6

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

2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 11539235) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID11539235
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC(C)C
InChIInChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28)
InChIKeyWTQARMXDFIUYMM-UHFFFAOYSA-N
XLogP3.57
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 11539235) is 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC(C)C.
What is the InChIKey of 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is WTQARMXDFIUYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28).
What are the key properties of 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 430.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 11539235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).