1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one

C11H11F3IN3O — CID 141443212

IUPAC1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C
InChIInChI=1S/C11H11F3IN3O/c1-6-5-18(10(19)17(6)2)9-3-7(11(12,13)14)8(15)4-16-9/h3-4,6H,5H2,1-2H3
InChIKeyVLXZBTQVBKWMCV-UHFFFAOYSA-N
MW385.13 g/mol
LogP2.97
Rot. Bonds1

About 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one

1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one (PubChem CID 141443212) has the molecular formula C11H11F3IN3O and a molecular weight of 385.13 g/mol. Its IUPAC name is 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one
PubChem CID141443212
Molecular FormulaC11H11F3IN3O
Molecular Weight385.13 g/mol
Exact Mass384.99
IUPAC Name1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C
InChIInChI=1S/C11H11F3IN3O/c1-6-5-18(10(19)17(6)2)9-3-7(11(12,13)14)8(15)4-16-9/h3-4,6H,5H2,1-2H3
InChIKeyVLXZBTQVBKWMCV-UHFFFAOYSA-N
XLogP2.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one with MolForge

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Related Compounds

Org-13011
CID 9907401
4,4-Dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]-3-propan-2-ylimidazolidin-2-one
CID 53493902
1-[5-[2-(3-Fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
CID 53494025
1-[5-[2-(4-Fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
CID 53494156
US11059766, Example 4
CID 124116929
2-Imidazolidinone, 1-(3-methyl-2-pyridyl)-
CID 58529
N-tert-butyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 2740574
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 2988804
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(4-methyl-2-pyridinyl)urea;hydrochloride
CID 12857645
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea
CID 12857646
N-(1-Methyl-2-(1-piperidinyl)ethyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 3041461
Propanamide, N-(2-(2,2-dimethyl-1-pyrrolidinyl)-1-methylethyl)-N-2-pyridinyl-
CID 3041497

Frequently Asked Questions

What is the IUPAC name of 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one (CID 141443212) is 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one is CC1CN(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C.
What is the InChIKey of 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one?
The InChIKey is VLXZBTQVBKWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3IN3O/c1-6-5-18(10(19)17(6)2)9-3-7(11(12,13)14)8(15)4-16-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one?
1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one has a molecular weight of 385.13 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 141443212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).