3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

C19H14BrN3O — CID 69375756

IUPAC3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H14BrN3O/c1-24-16-9-5-13(6-10-16)17-18(14-3-7-15(20)8-4-14)23-12-2-11-21-19(23)22-17/h2-12H,1H3
InChIKeyJYURDYWMAADWQP-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.83
Rot. Bonds3

About 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69375756) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID69375756
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H14BrN3O/c1-24-16-9-5-13(6-10-16)17-18(14-3-7-15(20)8-4-14)23-12-2-11-21-19(23)22-17/h2-12H,1H3
InChIKeyJYURDYWMAADWQP-UHFFFAOYSA-N
XLogP4.83
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 69378441
3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 141110720
3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 69378541
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 69378756
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666
2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
CID 155806887
4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
CID 142578098
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 69375756) is 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2nc3ncccn3c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is JYURDYWMAADWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c1-24-16-9-5-13(6-10-16)17-18(14-3-7-15(20)8-4-14)23-12-2-11-21-19(23)22-17/h2-12H,1H3.
What are the key properties of 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 380.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69375756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).