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

C14H16N2O3 — CID 646417

IUPAC2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-11-7-5-10(6-8-11)16-13(17)12-4-3-9-15(12)14(16)18/h5-8,12H,2-4,9H2,1H3
InChIKeyQPORXCBQOVKDOM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds3

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

2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 646417) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID646417
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-11-7-5-10(6-8-11)16-13(17)12-4-3-9-15(12)14(16)18/h5-8,12H,2-4,9H2,1H3
InChIKeyQPORXCBQOVKDOM-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(4-Ethoxyphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
CID 704671
2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
CID 4270974
2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 3510060
2-(3-methoxyphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4109892
2-(4-methoxyphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4842742
2-{3-[4-(2-butoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 4174147
CID 3156585
CID 3156585
2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 4188516
Acetamide, 2-(acetyl-(4-ethoxyphenyl)amino)-N,N-dimethyl-
CID 19528
Acetanilide, N-(dimethylcarbamoylmethyl)-4'-isopropoxy-
CID 56473
Acetanilide, N-(dimethylcarbamoylmethyl)-4'-propoxy-
CID 56475
Acetanilide, 4'-butoxy-N-(dimethylcarbamoylmethyl)-
CID 56559

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 646417) is 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is QPORXCBQOVKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-11-7-5-10(6-8-11)16-13(17)12-4-3-9-15(12)14(16)18/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 646417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).