2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

C13H12IN3O2 — CID 10406766

IUPAC2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C
InChIInChI=1S/C13H12IN3O2/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3
InChIKeyWEXQBXKYKJRFSG-UHFFFAOYSA-N
MW369.16 g/mol
LogP2.34
Rot. Bonds1

About 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (PubChem CID 10406766) has the molecular formula C13H12IN3O2 and a molecular weight of 369.16 g/mol. Its IUPAC name is 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
PubChem CID10406766
Molecular FormulaC13H12IN3O2
Molecular Weight369.16 g/mol
Exact Mass369.00
IUPAC Name2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C
InChIInChI=1S/C13H12IN3O2/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3
InChIKeyWEXQBXKYKJRFSG-UHFFFAOYSA-N
XLogP2.34
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (CID 10406766) is 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C.
What is the InChIKey of 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The InChIKey is WEXQBXKYKJRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O2/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3.
What are the key properties of 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile has a molecular weight of 369.16 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 10406766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).