2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol

C13H15IN2O — CID 115819308

IUPAC2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1I
InChIInChI=1S/C13H15IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeyJSXHPQKGKMFRHW-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.78
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol

2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol (PubChem CID 115819308) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
PubChem CID115819308
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1I
InChIInChI=1S/C13H15IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeyJSXHPQKGKMFRHW-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369
2-(1-ethylimidazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129027
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
[1-(2-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323366
2-(1-ethylimidazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115819361
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066362
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol (CID 115819308) is 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol is CCn1ccnc1CC(O)c1ccccc1I.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol?
The InChIKey is JSXHPQKGKMFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol has a molecular weight of 342.18 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 115819308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).