1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one

C14H17N3O3 — CID 138388842

IUPAC1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-10-6-3-8(7-11(10)20-2)12-13(15)16-14(18)17(12)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H2,15,16,18)
InChIKeyVILHCVDHJQQISI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.91
Rot. Bonds4

About 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one

1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one (PubChem CID 138388842) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one
PubChem CID138388842
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-10-6-3-8(7-11(10)20-2)12-13(15)16-14(18)17(12)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H2,15,16,18)
InChIKeyVILHCVDHJQQISI-UHFFFAOYSA-N
XLogP1.91
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one?
The IUPAC name of 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one (CID 138388842) is 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one?
The InChIKey is VILHCVDHJQQISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-6-3-8(7-11(10)20-2)12-13(15)16-14(18)17(12)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one?
1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138388842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).