1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide

C13H13N3O3 — CID 11550649

IUPAC1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESO=C1NC(=O)C2(C(=O)Nc3ccccc3)CCCN12
InChIInChI=1S/C13H13N3O3/c17-10(14-9-5-2-1-3-6-9)13-7-4-8-16(13)12(19)15-11(13)18/h1-3,5-6H,4,7-8H2,(H,14,17)(H,15,18,19)
InChIKeySFMLHBLSVFLIKZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.71
Rot. Bonds2

About 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide

1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 11550649) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID11550649
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESO=C1NC(=O)C2(C(=O)Nc3ccccc3)CCCN12
InChIInChI=1S/C13H13N3O3/c17-10(14-9-5-2-1-3-6-9)13-7-4-8-16(13)12(19)15-11(13)18/h1-3,5-6H,4,7-8H2,(H,14,17)(H,15,18,19)
InChIKeySFMLHBLSVFLIKZ-UHFFFAOYSA-N
XLogP0.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-Phenylimidazolidine-2,4-dione
CID 570576
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3909305
2-[3-[4-(3-Aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10618325
2-(2,5-dioxo-4-imidazolidinyl)-N-phenylacetamide
CID 2960513
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
(3S,5S)-N-phenyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646020
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109538
2-[4-(4-phenyl-1-piperazinyl)butyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10546192
2-[(4-Phenylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10663090
2-[3-(4-Phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
2-[2-(4-phenyl-1-piperazinyl)ethyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 11841880
N-[3-[4-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide;hydrochloride
CID 49860282

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide (CID 11550649) is 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide is O=C1NC(=O)C2(C(=O)Nc3ccccc3)CCCN12.
What is the InChIKey of 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is SFMLHBLSVFLIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-10(14-9-5-2-1-3-6-9)13-7-4-8-16(13)12(19)15-11(13)18/h1-3,5-6H,4,7-8H2,(H,14,17)(H,15,18,19).
What are the key properties of 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide?
1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 11550649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).