3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione

C19H25N5O4 — CID 658993

IUPAC3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(N(CN2C(=O)NC(C)(C)C2=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C19H25N5O4/c1-12-6-8-13(9-7-12)22(10-23-14(25)18(2,3)20-16(23)27)11-24-15(26)19(4,5)21-17(24)28/h6-9H,10-11H2,1-5H3,(H,20,27)(H,21,28)
InChIKeyGTYRCRCIBAEAEP-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.38
Rot. Bonds5

About 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 658993) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID658993
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(N(CN2C(=O)NC(C)(C)C2=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C19H25N5O4/c1-12-6-8-13(9-7-12)22(10-23-14(25)18(2,3)20-16(23)27)11-24-15(26)19(4,5)21-17(24)28/h6-9H,10-11H2,1-5H3,(H,20,27)(H,21,28)
InChIKeyGTYRCRCIBAEAEP-UHFFFAOYSA-N
XLogP1.38
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 658993) is 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1ccc(N(CN2C(=O)NC(C)(C)C2=O)CN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is GTYRCRCIBAEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-12-6-8-13(9-7-12)22(10-23-14(25)18(2,3)20-16(23)27)11-24-15(26)19(4,5)21-17(24)28/h6-9H,10-11H2,1-5H3,(H,20,27)(H,21,28).
What are the key properties of 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-methylanilino]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 658993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).