2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C18H16N4O2 — CID 46786325

IUPAC2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c23-17-16-7-4-12-21(16)18(24)22(17)15-10-8-14(9-11-15)20-19-13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2/b20-19+
InChIKeyYAMIYYQZUVWUCX-FMQUCBEESA-N
MW320.35 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 46786325) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID46786325
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c23-17-16-7-4-12-21(16)18(24)22(17)15-10-8-14(9-11-15)20-19-13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2/b20-19+
InChIKeyYAMIYYQZUVWUCX-FMQUCBEESA-N
XLogP4.03
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-{4-nitrophenyl}-1-piperazinyl)propyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10667945
3-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,3-diazabicyclo[3.3.0]octane-2,4-dione
CID 4306767
2-[3-[4-(3-Aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10618325
2-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10496791
2-[[4-(4-Nitrophenyl)piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10594620
(S)-3-(4-azidophenyl)-1-benzyl-5-methyl-imidazolidine-2,4-dione
CID 155515079
Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one
CID 100798
2-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 3297088
2-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 4381821
3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5309937
2-[4-(4-phenyl-1-piperazinyl)butyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10546192
2-{4-[4-(3-chlorophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10644152

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 46786325) is 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is YAMIYYQZUVWUCX-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-16-7-4-12-21(16)18(24)22(17)15-10-8-14(9-11-15)20-19-13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2/b20-19+.
What are the key properties of 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyldiazenylphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 46786325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).