2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone

C13H13IN2O — CID 115783583

IUPAC2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyZWYFJPLGAHWYKA-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.93
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone

2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone (PubChem CID 115783583) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
PubChem CID115783583
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyZWYFJPLGAHWYKA-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylimidazol-1-yl)-1-(4-iodophenyl)ethanone
CID 61405166
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone (CID 115783583) is 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone is CCn1ccnc1CC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is ZWYFJPLGAHWYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 340.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 115783583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).