5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

About 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124953316) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID	124953316
Molecular Formula	C15H21N5O3
Molecular Weight	319.37 g/mol
Exact Mass	319.16
IUPAC Name	5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILES	Cc1cnc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)[nH]1
InChI	InChI=1S/C15H21N5O3/c1-9-7-16-12(17-9)10-5-4-6-19(10)11(21)8-20-13(22)15(2,3)18-14(20)23/h7,10H,4-6,8H2,1-3H3,(H,16,17)(H,18,23)/t10-/m0/s1
InChIKey	DUNWPOWJURFUBR-JTQLQIEISA-N
XLogP	0.71
TPSA	98.40 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124953316) is 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cnc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)[nH]1.

What is the InChIKey of 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is DUNWPOWJURFUBR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-7-16-12(17-9)10-5-4-6-19(10)11(21)8-20-13(22)15(2,3)18-14(20)23/h7,10H,4-6,8H2,1-3H3,(H,16,17)(H,18,23)/t10-/m0/s1.

What are the key properties of 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 319.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124953316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).