1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

C19H19ClN4O — CID 66576895

IUPAC1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C19H19ClN4O/c20-18-10-14(9-16(22-18)13-3-4-13)23-7-8-24(19(23)25)17-11-21-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
InChIKeyRRHPTBQQHCZPJM-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576895) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576895
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C19H19ClN4O/c20-18-10-14(9-16(22-18)13-3-4-13)23-7-8-24(19(23)25)17-11-21-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
InChIKeyRRHPTBQQHCZPJM-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.33
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-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576895) is 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is RRHPTBQQHCZPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-18-10-14(9-16(22-18)13-3-4-13)23-7-8-24(19(23)25)17-11-21-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2.
What are the key properties of 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 354.84 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyclopropyl-4-pyridinyl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).