5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one

C10H9Cl2N3O — CID 138388440

IUPAC5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c1-15-8(9(13)14-10(15)16)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyPRGFHPNHCQJZCP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.67
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one

5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one (PubChem CID 138388440) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one
PubChem CID138388440
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c1-15-8(9(13)14-10(15)16)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyPRGFHPNHCQJZCP-UHFFFAOYSA-N
XLogP2.67
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one (CID 138388440) is 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The InChIKey is PRGFHPNHCQJZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-8(9(13)14-10(15)16)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,16).
What are the key properties of 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one?
5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one has a molecular weight of 258.11 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 138388440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).