5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one

C13H14ClN3O2 — CID 138388845

IUPAC5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18)
InChIKeyRWYWNHHVCRGUJM-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.55
Rot. Bonds3

About 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one

5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one (PubChem CID 138388845) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one
PubChem CID138388845
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18)
InChIKeyRWYWNHHVCRGUJM-UHFFFAOYSA-N
XLogP2.55
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one (CID 138388845) is 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one?
The InChIKey is RWYWNHHVCRGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one?
5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one has a molecular weight of 279.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138388845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).