(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium

C19H19ClN3O3+ — CID 9279246

IUPAC(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
SMILESCc1ccc(N2C(=O)C(=O)N(C[NH+](C)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c1-13-3-9-16(10-4-13)23-18(25)17(24)22(19(23)26)12-21(2)11-14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3/p+1
InChIKeyFDQGIKVFBFTBBS-UHFFFAOYSA-O
MW372.83 g/mol
LogP1.62
Rot. Bonds5

About (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium

(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9279246) has the molecular formula C19H19ClN3O3+ and a molecular weight of 372.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9279246
Molecular FormulaC19H19ClN3O3+
Molecular Weight372.83 g/mol
Exact Mass372.11
IUPAC Name(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
SMILESCc1ccc(N2C(=O)C(=O)N(C[NH+](C)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c1-13-3-9-16(10-4-13)23-18(25)17(24)22(19(23)26)12-21(2)11-14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3/p+1
InChIKeyFDQGIKVFBFTBBS-UHFFFAOYSA-O
XLogP1.62
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium (CID 9279246) is (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium is Cc1ccc(N2C(=O)C(=O)N(C[NH+](C)Cc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is FDQGIKVFBFTBBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-3-9-16(10-4-13)23-18(25)17(24)22(19(23)26)12-21(2)11-14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3/p+1.
What are the key properties of (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 372.83 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).