1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one

C15H16BrN3O — CID 63025979

IUPAC1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
SMILESO=C(CCN1CCn2ccnc2C1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c16-13-3-1-12(2-4-13)14(20)5-7-18-9-10-19-8-6-17-15(19)11-18/h1-4,6,8H,5,7,9-11H2
InChIKeyAPIXYCYFVQWONK-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one

1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one (PubChem CID 63025979) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
PubChem CID63025979
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
SMILESO=C(CCN1CCn2ccnc2C1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c16-13-3-1-12(2-4-13)14(20)5-7-18-9-10-19-8-6-17-15(19)11-18/h1-4,6,8H,5,7,9-11H2
InChIKeyAPIXYCYFVQWONK-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide
CID 2881607
1-[4-(4-Bromophenyl)phenyl]-2-imidazol-1-ylethanone
CID 49779466
F0145-0023
CID 4140711
8-Imidazol-1-yl-1-phenyl-octan-1-one
CID 12870387
(2-((1H-imidazol-1-yl)methyl)-5-bromophenyl)(phenyl)methanone
CID 16748064
3-[2-(4-bromophenyl)-2-oxoethyl]-1-vinyl-1H-imidazol-3-ium bromide
CID 2881324
1-(4-Bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
CID 13282604
4-(4-Bromophenyl)-1-imidazol-1-ylbutan-2-one;hydrochloride
CID 25143344
3-(1H-imidazol-1-yl)-1-phenylpropan-1-one
CID 13457361
2-(2-methyl-1H-imidazol-1-yl)-1-phenylethanone
CID 304309
3-(2-Methylimidazol-1-yl)-1-phenylpropan-1-one
CID 19078366
1h-1-Imidazolylmethyl phenyl ketone hydrobromide
CID 45260752

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one (CID 63025979) is 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one is O=C(CCN1CCn2ccnc2C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The InChIKey is APIXYCYFVQWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-3-1-12(2-4-13)14(20)5-7-18-9-10-19-8-6-17-15(19)11-18/h1-4,6,8H,5,7,9-11H2.
What are the key properties of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one has a molecular weight of 334.22 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 63025979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).