(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C18H21N3O4 — CID 95292009

IUPAC(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)[nH]1
InChIInChI=1S/C18H21N3O4/c1-9-6-13(11(3)19-9)15(22)8-21-16(23)18(5,20-17(21)24)14-7-10(2)25-12(14)4/h6-7,19H,8H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyLPBVPPXHNABUAO-SFHVURJKSA-N
MW343.38 g/mol
LogP2.49
Rot. Bonds4

About (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 95292009) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID95292009
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)[nH]1
InChIInChI=1S/C18H21N3O4/c1-9-6-13(11(3)19-9)15(22)8-21-16(23)18(5,20-17(21)24)14-7-10(2)25-12(14)4/h6-7,19H,8H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyLPBVPPXHNABUAO-SFHVURJKSA-N
XLogP2.49
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-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 (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 95292009) is (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)[nH]1.
What is the InChIKey of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is LPBVPPXHNABUAO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-9-6-13(11(3)19-9)15(22)8-21-16(23)18(5,20-17(21)24)14-7-10(2)25-12(14)4/h6-7,19H,8H2,1-5H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95292009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).