2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole

C12H13IN2O — CID 114527999

IUPAC2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCOc1ccccc1I
InChIInChI=1S/C12H13IN2O/c1-15-8-7-14-12(15)6-9-16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,9H2,1H3
InChIKeyYLIHXBLPLBCMLS-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole

2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole (PubChem CID 114527999) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
PubChem CID114527999
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCOc1ccccc1I
InChIInChI=1S/C12H13IN2O/c1-15-8-7-14-12(15)6-9-16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,9H2,1H3
InChIKeyYLIHXBLPLBCMLS-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.65
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-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114527965
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
3-(2-iodophenoxy)-1-methylpyrazin-2-one
CID 62939733
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole (CID 114527999) is 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole is Cn1ccnc1CCOc1ccccc1I.
What is the InChIKey of 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole?
The InChIKey is YLIHXBLPLBCMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-15-8-7-14-12(15)6-9-16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole?
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole has a molecular weight of 328.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole is sourced from PubChem (CID 114527999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).