2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine

C18H11FN4O2 — CID 69376666

IUPAC2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccc(F)cc3)nc3ncccn23)cc1
InChIInChI=1S/C18H11FN4O2/c19-14-6-2-12(3-7-14)16-17(22-11-1-10-20-18(22)21-16)13-4-8-15(9-5-13)23(24)25/h1-11H
InChIKeyXYNQLPWIWSVEPT-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine

2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69376666) has the molecular formula C18H11FN4O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
PubChem CID69376666
Molecular FormulaC18H11FN4O2
Molecular Weight334.31 g/mol
Exact Mass334.09
IUPAC Name2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccc(F)cc3)nc3ncccn23)cc1
InChIInChI=1S/C18H11FN4O2/c19-14-6-2-12(3-7-14)16-17(22-11-1-10-20-18(22)21-16)13-4-8-15(9-5-13)23(24)25/h1-11H
InChIKeyXYNQLPWIWSVEPT-UHFFFAOYSA-N
XLogP4.11
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine (CID 69376666) is 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine is O=[N+]([O-])c1ccc(-c2c(-c3ccc(F)cc3)nc3ncccn23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is XYNQLPWIWSVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O2/c19-14-6-2-12(3-7-14)16-17(22-11-1-10-20-18(22)21-16)13-4-8-15(9-5-13)23(24)25/h1-11H.
What are the key properties of 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine?
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 334.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69376666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).