1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone

C17H14F2IN3O3 — CID 58300341

IUPAC1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
SMILESO=C(COCCO)c1nc2c(F)cncn2c1Cc1ccc(I)cc1F
InChIInChI=1S/C17H14F2IN3O3/c18-12-6-11(20)2-1-10(12)5-14-16(15(25)8-26-4-3-24)22-17-13(19)7-21-9-23(14)17/h1-2,6-7,9,24H,3-5,8H2
InChIKeyAKUSMOSBTAUUNZ-UHFFFAOYSA-N
MW473.22 g/mol
LogP2.39
Rot. Bonds7

About 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone

1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone (PubChem CID 58300341) has the molecular formula C17H14F2IN3O3 and a molecular weight of 473.22 g/mol. Its IUPAC name is 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone.

Molecular Properties

Compound Name1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
PubChem CID58300341
Molecular FormulaC17H14F2IN3O3
Molecular Weight473.22 g/mol
Exact Mass473.00
IUPAC Name1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
SMILESO=C(COCCO)c1nc2c(F)cncn2c1Cc1ccc(I)cc1F
InChIInChI=1S/C17H14F2IN3O3/c18-12-6-11(20)2-1-10(12)5-14-16(15(25)8-26-4-3-24)22-17-13(19)7-21-9-23(14)17/h1-2,6-7,9,24H,3-5,8H2
InChIKeyAKUSMOSBTAUUNZ-UHFFFAOYSA-N
XLogP2.39
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 157312148
1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 123161844
1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 148535878
6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one
CID 58277494
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyrazin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324535
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
CID 58360691
5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 58374916
2-(2-ethenoxyethoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]ethanone;1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 161448703
4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59452200
1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324543

Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The IUPAC name of 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone (CID 58300341) is 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone.
What is the SMILES notation for 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The canonical SMILES for 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone is O=C(COCCO)c1nc2c(F)cncn2c1Cc1ccc(I)cc1F.
What is the InChIKey of 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The InChIKey is AKUSMOSBTAUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2IN3O3/c18-12-6-11(20)2-1-10(12)5-14-16(15(25)8-26-4-3-24)22-17-13(19)7-21-9-23(14)17/h1-2,6-7,9,24H,3-5,8H2.
What are the key properties of 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone?
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone has a molecular weight of 473.22 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone is sourced from PubChem (CID 58300341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).