5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione

C19H19N3O5 — CID 19433542

IUPAC5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)c2ccc(N)c(CC3NC(=O)NC3=O)c2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-15-6-4-11(9-16(15)27-2)17(23)10-3-5-13(20)12(7-10)8-14-18(24)22-19(25)21-14/h3-7,9,14H,8,20H2,1-2H3,(H2,21,22,24,25)
InChIKeyGZBJMLRZYHAQDX-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.27
Rot. Bonds6

About 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione

5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 19433542) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID19433542
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)c2ccc(N)c(CC3NC(=O)NC3=O)c2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-15-6-4-11(9-16(15)27-2)17(23)10-3-5-13(20)12(7-10)8-14-18(24)22-19(25)21-14/h3-7,9,14H,8,20H2,1-2H3,(H2,21,22,24,25)
InChIKeyGZBJMLRZYHAQDX-UHFFFAOYSA-N
XLogP1.27
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione (CID 19433542) is 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione is COc1ccc(C(=O)c2ccc(N)c(CC3NC(=O)NC3=O)c2)cc1OC.
What is the InChIKey of 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is GZBJMLRZYHAQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-15-6-4-11(9-16(15)27-2)17(23)10-3-5-13(20)12(7-10)8-14-18(24)22-19(25)21-14/h3-7,9,14H,8,20H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione?
5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-5-(3,4-dimethoxybenzoyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 19433542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).