7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C18H22N4O3 — CID 58465723

IUPAC7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCn3cc(C(=O)NO)nc3C2)cc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)13-6-4-12(5-7-13)17(24)22-9-8-21-10-14(16(23)20-25)19-15(21)11-22/h4-7,10,25H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyBRUHOBYRKYWWFD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.96
Rot. Bonds2

About 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 58465723) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID58465723
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCn3cc(C(=O)NO)nc3C2)cc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)13-6-4-12(5-7-13)17(24)22-9-8-21-10-14(16(23)20-25)19-15(21)11-22/h4-7,10,25H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyBRUHOBYRKYWWFD-UHFFFAOYSA-N
XLogP1.96
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide
CID 88894901
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;hydrate
CID 154701035
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 87400677
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 58465723) is 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCn3cc(C(=O)NO)nc3C2)cc1.
What is the InChIKey of 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BRUHOBYRKYWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)13-6-4-12(5-7-13)17(24)22-9-8-21-10-14(16(23)20-25)19-15(21)11-22/h4-7,10,25H,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 58465723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).