3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione

C11H12ClN3O2 — CID 102663211

IUPAC3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
SMILESNCc1ccc(CN2C(=O)CNC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2/c12-9-3-7(4-13)1-2-8(9)6-15-10(16)5-14-11(15)17/h1-3H,4-6,13H2,(H,14,17)
InChIKeyWEQSSRWWNHXVTQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.85
Rot. Bonds3

About 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione

3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione (PubChem CID 102663211) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
PubChem CID102663211
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
SMILESNCc1ccc(CN2C(=O)CNC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2/c12-9-3-7(4-13)1-2-8(9)6-15-10(16)5-14-11(15)17/h1-3H,4-6,13H2,(H,14,17)
InChIKeyWEQSSRWWNHXVTQ-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one
CID 102663276
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 102662978
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
CID 82507746
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
CID 102663284
3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
CID 99797531
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1,3,3-trimethylpiperazin-2-one
CID 102663048
3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726677
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 102663327

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione (CID 102663211) is 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione is NCc1ccc(CN2C(=O)CNC2=O)c(Cl)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is WEQSSRWWNHXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-9-3-7(4-13)1-2-8(9)6-15-10(16)5-14-11(15)17/h1-3H,4-6,13H2,(H,14,17).
What are the key properties of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione?
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 102663211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).