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

C16H20N2O3 — CID 111476375

IUPAC2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)C3CCCN3C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)14(19)9-18-15(20)13-4-3-5-17(13)16(18)21/h6-8,13-14,19H,3-5,9H2,1-2H3
InChIKeyMQDNLSVGFLUNBB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds3

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

2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 111476375) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID111476375
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)C3CCCN3C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)14(19)9-18-15(20)13-4-3-5-17(13)16(18)21/h6-8,13-14,19H,3-5,9H2,1-2H3
InChIKeyMQDNLSVGFLUNBB-UHFFFAOYSA-N
XLogP1.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 51283472
7-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71928157
3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 36074297
3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 36074301
3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36075006
3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36075008
(7aS)-2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 36075941
(7aS)-2-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 36075944
(7aR)-2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 36075947
(7aR)-2-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 36075950
2-[2-(2-Fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430
3-[2-(2-Fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42955348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 111476375) is 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is Cc1cc(C)cc(C(O)CN2C(=O)C3CCCN3C2=O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is MQDNLSVGFLUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)14(19)9-18-15(20)13-4-3-5-17(13)16(18)21/h6-8,13-14,19H,3-5,9H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 111476375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).