1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

C16H15ClN4O — CID 66576412

IUPAC1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
InChIKeyQHIQLVPUVUOZHY-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576412) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576412
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
InChIKeyQHIQLVPUVUOZHY-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576412) is 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is QHIQLVPUVUOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 314.78 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).