2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one

C21H18FN5O2 — CID 53325758

IUPAC2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C21H18FN5O2/c1-27-19(28)21(26-20(27)23,14-3-6-16(29-2)7-4-14)15-5-8-18(22)17(9-15)13-10-24-12-25-11-13/h3-12H,1-2H3,(H2,23,26)
InChIKeyRVOJQIIUOOLEPR-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one

2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one (PubChem CID 53325758) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
PubChem CID53325758
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C21H18FN5O2/c1-27-19(28)21(26-20(27)23,14-3-6-16(29-2)7-4-14)15-5-8-18(22)17(9-15)13-10-24-12-25-11-13/h3-12H,1-2H3,(H2,23,26)
InChIKeyRVOJQIIUOOLEPR-UHFFFAOYSA-N
XLogP2.32
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-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-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one (CID 53325758) is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one is COc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The InChIKey is RVOJQIIUOOLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-27-19(28)21(26-20(27)23,14-3-6-16(29-2)7-4-14)15-5-8-18(22)17(9-15)13-10-24-12-25-11-13/h3-12H,1-2H3,(H2,23,26).
What are the key properties of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one has a molecular weight of 391.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 53325758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).