3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione

C14H18N2O4 — CID 61070063

IUPAC3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C14H18N2O4/c1-2-3-6-16-13(19)10(15-14(16)20)7-9-4-5-11(17)12(18)8-9/h4-5,8,10,17-18H,2-3,6-7H2,1H3,(H,15,20)
InChIKeySWOTVGLZOSNYRJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.36
Rot. Bonds5

About 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione

3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 61070063) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID61070063
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C14H18N2O4/c1-2-3-6-16-13(19)10(15-14(16)20)7-9-4-5-11(17)12(18)8-9/h4-5,8,10,17-18H,2-3,6-7H2,1H3,(H,15,20)
InChIKeySWOTVGLZOSNYRJ-UHFFFAOYSA-N
XLogP1.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione (CID 61070063) is 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione is CCCCN1C(=O)NC(Cc2ccc(O)c(O)c2)C1=O.
What is the InChIKey of 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is SWOTVGLZOSNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-3-6-16-13(19)10(15-14(16)20)7-9-4-5-11(17)12(18)8-9/h4-5,8,10,17-18H,2-3,6-7H2,1H3,(H,15,20).
What are the key properties of 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione?
3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 61070063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).