(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C13H11BrClN3O — CID 81002855

IUPAC(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H11BrClN3O/c14-10-2-1-9(7-11(10)15)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2
InChIKeyZSTJERVDTQSIGR-UHFFFAOYSA-N
MW340.61 g/mol
LogP2.95
Rot. Bonds1

About (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 81002855) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID81002855
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCn2ccnc2C1
InChIInChI=1S/C13H11BrClN3O/c14-10-2-1-9(7-11(10)15)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2
InChIKeyZSTJERVDTQSIGR-UHFFFAOYSA-N
XLogP2.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone with MolForge

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Related Compounds

(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025771
(2,6-dichloro-4-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63015031
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,5-dihydroxyphenyl)methanone
CID 104939006
(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63026450
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2,6-dihydroxyphenyl)methanone
CID 103890482
(4-chloro-2-hydroxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63026132
N-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)phenyl]acetamide
CID 110741996
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-chloro-6-methyl-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81226550
(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025085

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 81002855) is (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is O=C(c1ccc(Br)c(Cl)c1)N1CCn2ccnc2C1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is ZSTJERVDTQSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-10-2-1-9(7-11(10)15)13(19)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 340.61 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 81002855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).