3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C14H16BrN3O2 — CID 103523653

IUPAC3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cnc3n2CCNC3)c(OC)c1Br
InChIInChI=1S/C14H16BrN3O2/c1-19-11-4-3-9(14(20-2)13(11)15)10-7-17-12-8-16-5-6-18(10)12/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyJCBCBCLYUJRXQA-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.43
Rot. Bonds3

About 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 103523653) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID103523653
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cnc3n2CCNC3)c(OC)c1Br
InChIInChI=1S/C14H16BrN3O2/c1-19-11-4-3-9(14(20-2)13(11)15)10-7-17-12-8-16-5-6-18(10)12/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyJCBCBCLYUJRXQA-UHFFFAOYSA-N
XLogP2.43
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103434054
3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342097
3-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342007
3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341959
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155874929
3-(3-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342008
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342092
3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585358
3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342018
3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 114197754
3-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 96599766
2-N-[6-methoxy-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-3-pyridinyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146338567

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 103523653) is 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is COc1ccc(-c2cnc3n2CCNC3)c(OC)c1Br.
What is the InChIKey of 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is JCBCBCLYUJRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-11-4-3-9(14(20-2)13(11)15)10-7-17-12-8-16-5-6-18(10)12/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 338.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 103523653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).