2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine

C28H21BrN6 — CID 50907919

IUPAC2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C28H21BrN6/c1-18-7-9-19(10-8-18)24-16-30-26(33-24)21-15-31-28-34-25(20-11-13-22(29)14-12-20)27(35(28)17-21)32-23-5-3-2-4-6-23/h2-17,32H,1H3,(H,30,33)
InChIKeyCITRTFDCCYATPQ-UHFFFAOYSA-N
MW521.42 g/mol
LogP7.27
Rot. Bonds5

About 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine

2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 50907919) has the molecular formula C28H21BrN6 and a molecular weight of 521.42 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID50907919
Molecular FormulaC28H21BrN6
Molecular Weight521.42 g/mol
Exact Mass520.10
IUPAC Name2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C28H21BrN6/c1-18-7-9-19(10-8-18)24-16-30-26(33-24)21-15-31-28-34-25(20-11-13-22(29)14-12-20)27(35(28)17-21)32-23-5-3-2-4-6-23/h2-17,32H,1H3,(H,30,33)
InChIKeyCITRTFDCCYATPQ-UHFFFAOYSA-N
XLogP7.27
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.42
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 50907919) is 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is CITRTFDCCYATPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21BrN6/c1-18-7-9-19(10-8-18)24-16-30-26(33-24)21-15-31-28-34-25(20-11-13-22(29)14-12-20)27(35(28)17-21)32-23-5-3-2-4-6-23/h2-17,32H,1H3,(H,30,33).
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 521.42 g/mol, XLogP of 7.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 50907919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).