6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine

C12H6BrCl2N3 — CID 13457649

IUPAC6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2c(-c3ccc(Br)cc3)ncc2n1
InChIInChI=1S/C12H6BrCl2N3/c13-8-3-1-7(2-4-8)12-16-6-11-17-9(14)5-10(15)18(11)12/h1-6H
InChIKeyALYPBOSABNSJDN-UHFFFAOYSA-N
MW343.01 g/mol
LogP4.47
Rot. Bonds1

About 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine

6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine (PubChem CID 13457649) has the molecular formula C12H6BrCl2N3 and a molecular weight of 343.01 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine
PubChem CID13457649
Molecular FormulaC12H6BrCl2N3
Molecular Weight343.01 g/mol
Exact Mass340.91
IUPAC Name6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2c(-c3ccc(Br)cc3)ncc2n1
InChIInChI=1S/C12H6BrCl2N3/c13-8-3-1-7(2-4-8)12-16-6-11-17-9(14)5-10(15)18(11)12/h1-6H
InChIKeyALYPBOSABNSJDN-UHFFFAOYSA-N
XLogP4.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.01
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
5-bromo-2-(4-bromophenyl)-1-methylimidazole
CID 117259276
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
CID 3266811
2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
CID 91620563
2-(4-bromophenyl)-6-chloro-3-methylimidazo[1,2-a]pyridine
CID 78910128
6-bromo-3-chloroisoquinoline
CID 22607530
2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150509
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
4-methyl-6-phenyl-2-piperidin-1-ylimidazo[1,5-a]pyrimidine
CID 13114271

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine (CID 13457649) is 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine is Clc1cc(Cl)n2c(-c3ccc(Br)cc3)ncc2n1.
What is the InChIKey of 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine?
The InChIKey is ALYPBOSABNSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2N3/c13-8-3-1-7(2-4-8)12-16-6-11-17-9(14)5-10(15)18(11)12/h1-6H.
What are the key properties of 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine?
6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine has a molecular weight of 343.01 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,4-dichloroimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 13457649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).