7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H22BrN3 — CID 65015071

IUPAC7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)C(CBr)CN1CCn2ccnc2C1
InChIInChI=1S/C13H22BrN3/c1-13(2,3)11(8-14)9-16-6-7-17-5-4-15-12(17)10-16/h4-5,11H,6-10H2,1-3H3
InChIKeyGWQJKDJTSTWOJW-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.76
Rot. Bonds3

About 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 65015071) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID65015071
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)C(CBr)CN1CCn2ccnc2C1
InChIInChI=1S/C13H22BrN3/c1-13(2,3)11(8-14)9-16-6-7-17-5-4-15-12(17)10-16/h4-5,11H,6-10H2,1-3H3
InChIKeyGWQJKDJTSTWOJW-UHFFFAOYSA-N
XLogP2.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.76
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)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65013150
2-methylbutane;7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160938610
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-methoxyphenyl)ethanol
CID 62407126
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropanoate
CID 63014330
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanol
CID 63026968
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 63024440
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64790084
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile
CID 63025616
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propylpentan-2-amine
CID 63013586
7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131232949
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 63025477
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931

Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 65015071) is 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC(C)(C)C(CBr)CN1CCn2ccnc2C1.
What is the InChIKey of 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is GWQJKDJTSTWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-13(2,3)11(8-14)9-16-6-7-17-5-4-15-12(17)10-16/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 300.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 65015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).