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

C9H10ClN3O — CID 15390532

IUPAC1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)
InChIKeyADWTYURAFSWNSU-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.26
Rot. Bonds2

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

1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 15390532) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
PubChem CID15390532
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)
InChIKeyADWTYURAFSWNSU-UHFFFAOYSA-N
XLogP1.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-3-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one (CID 15390532) is 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is ADWTYURAFSWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one?
1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 15390532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).