2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine

C25H16BrFN6 — CID 50907702

IUPAC2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESFc1ccc2nc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1
InChIInChI=1S/C25H16BrFN6/c26-17-8-6-15(7-9-17)22-24(29-19-4-2-1-3-5-19)33-14-16(13-28-25(33)32-22)23-30-20-11-10-18(27)12-21(20)31-23/h1-14,29H,(H,30,31)
InChIKeyGLVFOAAZZAJIKG-UHFFFAOYSA-N
MW499.35 g/mol
LogP6.58
Rot. Bonds4

About 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine

2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 50907702) has the molecular formula C25H16BrFN6 and a molecular weight of 499.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID50907702
Molecular FormulaC25H16BrFN6
Molecular Weight499.35 g/mol
Exact Mass498.06
IUPAC Name2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESFc1ccc2nc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1
InChIInChI=1S/C25H16BrFN6/c26-17-8-6-15(7-9-17)22-24(29-19-4-2-1-3-5-19)33-14-16(13-28-25(33)32-22)23-30-20-11-10-18(27)12-21(20)31-23/h1-14,29H,(H,30,31)
InChIKeyGLVFOAAZZAJIKG-UHFFFAOYSA-N
XLogP6.58
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine 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-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 50907702) is 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine is Fc1ccc2nc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is GLVFOAAZZAJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrFN6/c26-17-8-6-15(7-9-17)22-24(29-19-4-2-1-3-5-19)33-14-16(13-28-25(33)32-22)23-30-20-11-10-18(27)12-21(20)31-23/h1-14,29H,(H,30,31).
What are the key properties of 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 499.35 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 50907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).