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

C13H14N2O3 — CID 3156585

IUPAC2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-10-6-4-9(5-7-10)15-12(16)11-3-2-8-14(11)13(15)17/h4-7,11H,2-3,8H2,1H3
InChIKeyKHAPNJNOROBLNT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.63
Rot. Bonds2

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

2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 3156585) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID3156585
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-10-6-4-9(5-7-10)15-12(16)11-3-2-8-14(11)13(15)17/h4-7,11H,2-3,8H2,1H3
InChIKeyKHAPNJNOROBLNT-UHFFFAOYSA-N
XLogP1.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.63
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

Hydantoin, 3-(p-methoxyphenyl)-2-thio-
CID 757480
1-(4-Methoxyphenyl)imidazolidine-2,4,5-trione
CID 4962255
1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
CID 4270974
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
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
2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 4188516
Uracil, 3,6-dimethyl-5-(dimethylamino)-1-(p-methoxyphenyl)-
CID 208432
2-(4-Ethoxy-phenyl)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione
CID 646417

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 3156585) is 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is COc1ccc(N2C(=O)C3CCCN3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is KHAPNJNOROBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-10-6-4-9(5-7-10)15-12(16)11-3-2-8-14(11)13(15)17/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 246.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 3156585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).