2-(2-iodoimidazol-1-yl)ethanol

C5H7IN2O — CID 126999372

IUPAC2-(2-iodoimidazol-1-yl)ethanol
SMILESOCCn1ccnc1I
InChIInChI=1S/C5H7IN2O/c6-5-7-1-2-8(5)3-4-9/h1-2,9H,3-4H2
InChIKeyMSRGYESROGRMSP-UHFFFAOYSA-N
MW238.03 g/mol
LogP0.48
Rot. Bonds2

About 2-(2-iodoimidazol-1-yl)ethanol

2-(2-iodoimidazol-1-yl)ethanol (PubChem CID 126999372) has the molecular formula C5H7IN2O and a molecular weight of 238.03 g/mol. Its IUPAC name is 2-(2-iodoimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-iodoimidazol-1-yl)ethanol
PubChem CID126999372
Molecular FormulaC5H7IN2O
Molecular Weight238.03 g/mol
Exact Mass237.96
IUPAC Name2-(2-iodoimidazol-1-yl)ethanol
SMILESOCCn1ccnc1I
InChIInChI=1S/C5H7IN2O/c6-5-7-1-2-8(5)3-4-9/h1-2,9H,3-4H2
InChIKeyMSRGYESROGRMSP-UHFFFAOYSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 50.48
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

1-butyl-2-iodoimidazole
CID 69317070
2-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]ethanol
CID 82559905
1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
CID 91602067
tert-butyl-[2-(2-iodoimidazol-1-yl)ethoxy]-methylsulfanium
CID 147435207
1-hydroxy-2-iodoimidazole
CID 83382803
2-[2-(5-methylthiophen-2-yl)imidazol-1-yl]ethanol
CID 155909271
2-[2-[(2-bromoethylamino)methyl]imidazol-1-yl]ethanol
CID 142780018
2-iodo-1-(naphthalen-1-ylmethyl)imidazole
CID 102402216
2-[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]ethanol
CID 82560649
2-[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]ethanol
CID 82560023
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
CID 130652067

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-iodoimidazol-1-yl)ethanol (CID 126999372) is 2-(2-iodoimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-iodoimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-iodoimidazol-1-yl)ethanol is OCCn1ccnc1I.
What is the InChIKey of 2-(2-iodoimidazol-1-yl)ethanol?
The InChIKey is MSRGYESROGRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O/c6-5-7-1-2-8(5)3-4-9/h1-2,9H,3-4H2.
What are the key properties of 2-(2-iodoimidazol-1-yl)ethanol?
2-(2-iodoimidazol-1-yl)ethanol has a molecular weight of 238.03 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoimidazol-1-yl)ethanol is sourced from PubChem (CID 126999372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).