2-(3-bromophenyl)imidazo[1,2-a]pyrimidine

C12H8BrN3 — CID 14913301

IUPAC2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
SMILESBrc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C12H8BrN3/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H
InChIKeyFVKMFKVUEPXDOK-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.16
Rot. Bonds1

About 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine

2-(3-bromophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 14913301) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
PubChem CID14913301
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
SMILESBrc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C12H8BrN3/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H
InChIKeyFVKMFKVUEPXDOK-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine (CID 14913301) is 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine is Brc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is FVKMFKVUEPXDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H.
What are the key properties of 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine?
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 274.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 14913301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).