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

C21H22N2O4 — CID 119033787

IUPAC2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-26-16-9-5-14(6-10-16)19(15-7-11-17(27-2)12-8-15)23-20(24)18-4-3-13-22(18)21(23)25/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyNAAFSJFXRPGPJX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.22
Rot. Bonds5

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

2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 119033787) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID119033787
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)C3CCCN3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-26-16-9-5-14(6-10-16)19(15-7-11-17(27-2)12-8-15)23-20(24)18-4-3-13-22(18)21(23)25/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyNAAFSJFXRPGPJX-UHFFFAOYSA-N
XLogP3.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(4-methoxyphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 119033787) is 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is COc1ccc(C(c2ccc(OC)cc2)N2C(=O)C3CCCN3C2=O)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is NAAFSJFXRPGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-16-9-5-14(6-10-16)19(15-7-11-17(27-2)12-8-15)23-20(24)18-4-3-13-22(18)21(23)25/h5-12,18-19H,3-4,13H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 119033787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).