1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

C14H14BrN3O — CID 63026581

IUPAC1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCn2ccnc2C1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-11(8-12)13(19)9-17-6-7-18-5-4-16-14(18)10-17/h1-5,8H,6-7,9-10H2
InChIKeyKPMRNHYIBGYRFD-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (PubChem CID 63026581) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
PubChem CID63026581
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCn2ccnc2C1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-11(8-12)13(19)9-17-6-7-18-5-4-16-14(18)10-17/h1-5,8H,6-7,9-10H2
InChIKeyKPMRNHYIBGYRFD-UHFFFAOYSA-N
XLogP2.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025553
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63026239
1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
CID 63025979
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenylpropan-1-one
CID 55143073
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
CID 63024508
3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzoic acid
CID 102767640
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63025041
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-phenylethanone
CID 64575367
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (CID 63026581) is 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is O=C(CN1CCn2ccnc2C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The InChIKey is KPMRNHYIBGYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-3-1-2-11(8-12)13(19)9-17-6-7-18-5-4-16-14(18)10-17/h1-5,8H,6-7,9-10H2.
What are the key properties of 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone has a molecular weight of 320.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 63026581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).