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

C10H10ClN3O2 — CID 62100916

IUPAC3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESNc1cc(Cl)ccc1CN1C(=O)CNC1=O
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-6(8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16)
InChIKeyNHVGPHOHIIWEKZ-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.97
Rot. Bonds2

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

3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 62100916) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID62100916
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESNc1cc(Cl)ccc1CN1C(=O)CNC1=O
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-6(8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16)
InChIKeyNHVGPHOHIIWEKZ-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301903
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181701
2-[(2-amino-4-chlorophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512394
3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
CID 99797531
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122
4-[(2-amino-4-chlorophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062281
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
CID 82507746
5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
1-[(2-amino-4-chlorophenyl)methyl]-5-bromopyridin-2-one
CID 55036985
3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112646261

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 62100916) is 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione is Nc1cc(Cl)ccc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is NHVGPHOHIIWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-2-1-6(8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16).
What are the key properties of 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione?
3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 239.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62100916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).