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

C18H19ClN4O — CID 66576734

IUPAC1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CCCC1
InChIInChI=1S/C18H19ClN4O/c19-17-11-14(5-8-21-17)22-9-10-23(18(22)24)16-12-20-7-6-15(16)13-3-1-2-4-13/h5-8,11-13H,1-4,9-10H2
InChIKeyOWSGLNWYEPTHNN-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.23
Rot. Bonds3

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

1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576734) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576734
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CCCC1
InChIInChI=1S/C18H19ClN4O/c19-17-11-14(5-8-21-17)22-9-10-23(18(22)24)16-12-20-7-6-15(16)13-3-1-2-4-13/h5-8,11-13H,1-4,9-10H2
InChIKeyOWSGLNWYEPTHNN-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.23
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-cyclopentyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one (CID 66576734) is 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CCCC1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is OWSGLNWYEPTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-17-11-14(5-8-21-17)22-9-10-23(18(22)24)16-12-20-7-6-15(16)13-3-1-2-4-13/h5-8,11-13H,1-4,9-10H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one?
1-(2-chloro-4-pyridinyl)-3-(4-cyclopentyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 342.83 g/mol, XLogP of 4.23, 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-cyclopentyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).