7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione

C20H14FN5O3 — CID 16824705

IUPAC7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3O)c(-c3ccc(F)cc3)cn21
InChIInChI=1S/C20H14FN5O3/c1-24-17-16(18(28)23-20(24)29)25-10-14(11-6-8-12(21)9-7-11)26(19(25)22-17)13-4-2-3-5-15(13)27/h2-10,27H,1H3,(H,23,28,29)
InChIKeyIYVBCBFXPHGONI-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.18
Rot. Bonds2

About 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione

7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16824705) has the molecular formula C20H14FN5O3 and a molecular weight of 391.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16824705
Molecular FormulaC20H14FN5O3
Molecular Weight391.36 g/mol
Exact Mass391.11
IUPAC Name7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3O)c(-c3ccc(F)cc3)cn21
InChIInChI=1S/C20H14FN5O3/c1-24-17-16(18(28)23-20(24)29)25-10-14(11-6-8-12(21)9-7-11)26(19(25)22-17)13-4-2-3-5-15(13)27/h2-10,27H,1H3,(H,23,28,29)
InChIKeyIYVBCBFXPHGONI-UHFFFAOYSA-N
XLogP2.18
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione 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 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione (CID 16824705) is 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3O)c(-c3ccc(F)cc3)cn21.
What is the InChIKey of 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is IYVBCBFXPHGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O3/c1-24-17-16(18(28)23-20(24)29)25-10-14(11-6-8-12(21)9-7-11)26(19(25)22-17)13-4-2-3-5-15(13)27/h2-10,27H,1H3,(H,23,28,29).
What are the key properties of 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione?
7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 391.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-(2-hydroxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16824705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).