1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one

C13H16ClN3O2 — CID 113379843

IUPAC1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCNC2=O)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c1-13(2,3)9-6-8(7-10(14)16-9)11(18)17-5-4-15-12(17)19/h6-7H,4-5H2,1-3H3,(H,15,19)
InChIKeySYSRGZXHVLTHPN-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.20
Rot. Bonds1

About 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one

1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one (PubChem CID 113379843) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one
PubChem CID113379843
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCNC2=O)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c1-13(2,3)9-6-8(7-10(14)16-9)11(18)17-5-4-15-12(17)19/h6-7H,4-5H2,1-3H3,(H,15,19)
InChIKeySYSRGZXHVLTHPN-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one (CID 113379843) is 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one is CC(C)(C)c1cc(C(=O)N2CCNC2=O)cc(Cl)n1.
What is the InChIKey of 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one?
The InChIKey is SYSRGZXHVLTHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-13(2,3)9-6-8(7-10(14)16-9)11(18)17-5-4-15-12(17)19/h6-7H,4-5H2,1-3H3,(H,15,19).
What are the key properties of 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one?
1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one has a molecular weight of 281.74 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 113379843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).