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

C9H10IN3O — CID 134601119

IUPAC1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(I)nc1
InChIInChI=1S/C9H10IN3O/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)
InChIKeyYLKFZYJPVUOALH-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.21
Rot. Bonds2

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

1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 134601119) has the molecular formula C9H10IN3O and a molecular weight of 303.10 g/mol. Its IUPAC name is 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
PubChem CID134601119
Molecular FormulaC9H10IN3O
Molecular Weight303.10 g/mol
Exact Mass302.99
IUPAC Name1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(I)nc1
InChIInChI=1S/C9H10IN3O/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)
InChIKeyYLKFZYJPVUOALH-UHFFFAOYSA-N
XLogP1.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Imidacloprid urea
CID 15390532
Urea, (3-pyridinylmethyl)-
CID 118929
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
1-[(Pyridin-3-yl)methyl]piperazine
CID 156975
3-((6-Chloropyridin-3-yl)methyl)imidazolidine-2,4-dione
CID 20114087
NTN33893-4-keto-urea
CID 122226815
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564
Urea, N,N'-bis(3-pyridinylmethyl)-
CID 170234

Frequently Asked Questions

What is the IUPAC name of 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one (CID 134601119) is 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccc(I)nc1.
What is the InChIKey of 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is YLKFZYJPVUOALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O/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-iodo-3-pyridinyl)methyl]imidazolidin-2-one?
1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 303.10 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 134601119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).