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

C13H13Cl2N3O — CID 103342097

IUPAC3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1cc(Cl)c(-c2cnc3n2CCNC3)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-19-12-5-9(14)8(4-10(12)15)11-6-17-13-7-16-2-3-18(11)13/h4-6,16H,2-3,7H2,1H3
InChIKeyPAAQNLGMDPIXQP-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.97
Rot. Bonds2

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

3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 103342097) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID103342097
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCOc1cc(Cl)c(-c2cnc3n2CCNC3)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-19-12-5-9(14)8(4-10(12)15)11-6-17-13-7-16-2-3-18(11)13/h4-6,16H,2-3,7H2,1H3
InChIKeyPAAQNLGMDPIXQP-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103523653
3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342018
3-(2-methoxy-3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103434054
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342092
3-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342007
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155874929
3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341959
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
3-(3,5-dimethyl-1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 96610957
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
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenol
CID 175833776

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 103342097) is 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is COc1cc(Cl)c(-c2cnc3n2CCNC3)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is PAAQNLGMDPIXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-19-12-5-9(14)8(4-10(12)15)11-6-17-13-7-16-2-3-18(11)13/h4-6,16H,2-3,7H2,1H3.
What are the key properties of 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 298.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 103342097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).