7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H13BrFN3 — CID 114067824

IUPAC7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESFc1cccc(CBr)c1N1CCn2ccnc2C1
InChIInChI=1S/C13H13BrFN3/c14-8-10-2-1-3-11(15)13(10)18-7-6-17-5-4-16-12(17)9-18/h1-5H,6-9H2
InChIKeyUARGAHAGFCLMMC-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.94
Rot. Bonds2

About 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 114067824) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID114067824
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESFc1cccc(CBr)c1N1CCn2ccnc2C1
InChIInChI=1S/C13H13BrFN3/c14-8-10-2-1-3-11(15)13(10)18-7-6-17-5-4-16-12(17)9-18/h1-5H,6-9H2
InChIKeyUARGAHAGFCLMMC-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 107083183
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]methanamine
CID 63013342
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridin-2-amine
CID 80653308
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63025668
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63077696
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorophenyl]ethanamine
CID 63014492
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338
5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
CID 66111141
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997149
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
CID 103912112
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
CID 81166753
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
CID 103590364

Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 114067824) is 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Fc1cccc(CBr)c1N1CCn2ccnc2C1.
What is the InChIKey of 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is UARGAHAGFCLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-8-10-2-1-3-11(15)13(10)18-7-6-17-5-4-16-12(17)9-18/h1-5H,6-9H2.
What are the key properties of 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 310.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 114067824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).