(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium

C26H28N3O2+ — CID 9280017

IUPAC(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C26H27N3O2/c1-19-14-15-21(20(2)16-19)17-28(3)18-29-24(30)26(27-25(29)31,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-16H,17-18H2,1-3H3,(H,27,31)/p+1
InChIKeyKAMBBILROHAKHV-UHFFFAOYSA-O
MW414.53 g/mol
LogP2.77
Rot. Bonds6

About (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium

(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium (PubChem CID 9280017) has the molecular formula C26H28N3O2+ and a molecular weight of 414.53 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium
PubChem CID9280017
Molecular FormulaC26H28N3O2+
Molecular Weight414.53 g/mol
Exact Mass414.22
IUPAC Name(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C26H27N3O2/c1-19-14-15-21(20(2)16-19)17-28(3)18-29-24(30)26(27-25(29)31,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-16H,17-18H2,1-3H3,(H,27,31)/p+1
InChIKeyKAMBBILROHAKHV-UHFFFAOYSA-O
XLogP2.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium?
The IUPAC name of (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium (CID 9280017) is (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium.
What is the SMILES notation for (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium?
The canonical SMILES for (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium is Cc1ccc(C[NH+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium?
The InChIKey is KAMBBILROHAKHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H27N3O2/c1-19-14-15-21(20(2)16-19)17-28(3)18-29-24(30)26(27-25(29)31,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-16H,17-18H2,1-3H3,(H,27,31)/p+1.
What are the key properties of (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium?
(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium has a molecular weight of 414.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium is sourced from PubChem (CID 9280017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).