2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine

C24H31N6O+ — CID 123824823

IUPAC2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine
SMILESCCC(C)C1NC2=C(CCCN=C(N)N)[NH+]=C(c3ccc4ccccc4c3)CN2C1=O
InChIInChI=1S/C24H30N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13,15,21,29H,3,6,9,12,14H2,1-2H3,(H4,25,26,27)/p+1
InChIKeyQAVIITNQFCTBBZ-UHFFFAOYSA-O
MW419.55 g/mol
LogP0.79
Rot. Bonds7

About 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine

2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine (PubChem CID 123824823) has the molecular formula C24H31N6O+ and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine
PubChem CID123824823
Molecular FormulaC24H31N6O+
Molecular Weight419.55 g/mol
Exact Mass419.26
IUPAC Name2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine
SMILESCCC(C)C1NC2=C(CCCN=C(N)N)[NH+]=C(c3ccc4ccccc4c3)CN2C1=O
InChIInChI=1S/C24H30N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13,15,21,29H,3,6,9,12,14H2,1-2H3,(H4,25,26,27)/p+1
InChIKeyQAVIITNQFCTBBZ-UHFFFAOYSA-O
XLogP0.79
TPSA110.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(naphthalen-1-ylmethyl)-2-oxoimidazo[1,2-a]pyrimidin-3-yl]acetamide
CID 177653430
1-[2-[4-[4-[6-[C-(aminomethyl)-N-[fluoro-[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]carbonimidoyl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 123791871
(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 12021955
7-[[4-(2-Methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136701
(3S)-3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one
CID 59693703
2-methyl-1-[3-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propyl]guanidine
CID 59693720
(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one
CID 59693759
(5S)-2,2,3-trimethyl-5-(naphthalen-1-ylmethyl)imidazolidin-4-one
CID 59883933
(2S)-4-methyl-2-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 59884074
(5S)-2,2-dimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884099
2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine
CID 68950619
2,8-dibenzyl-6-phenyl-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-3-one
CID 92179606

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine?
The IUPAC name of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine (CID 123824823) is 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine is CCC(C)C1NC2=C(CCCN=C(N)N)[NH+]=C(c3ccc4ccccc4c3)CN2C1=O.
What is the InChIKey of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine?
The InChIKey is QAVIITNQFCTBBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13,15,21,29H,3,6,9,12,14H2,1-2H3,(H4,25,26,27)/p+1.
What are the key properties of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine?
2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine has a molecular weight of 419.55 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-8-yl)propyl]guanidine is sourced from PubChem (CID 123824823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).