1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one

C10H12ClN3O — CID 79240754

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2cccc(Cl)n2)C1=O
InChIInChI=1S/C10H12ClN3O/c1-13-5-6-14(10(13)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3
InChIKeyUMXWYDXVHHCBJD-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.60
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one

1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 79240754) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
PubChem CID79240754
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2cccc(Cl)n2)C1=O
InChIInChI=1S/C10H12ClN3O/c1-13-5-6-14(10(13)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3
InChIKeyUMXWYDXVHHCBJD-UHFFFAOYSA-N
XLogP1.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one (CID 79240754) is 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2cccc(Cl)n2)C1=O.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is UMXWYDXVHHCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-13-5-6-14(10(13)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one?
1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 79240754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).