cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol

C14H21IN2O3 — CID 169042452

IUPACcyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
SMILESOC(c1nc(I)cn1CCOC1CCCCO1)C1CC1
InChIInChI=1S/C14H21IN2O3/c15-11-9-17(14(16-11)13(18)10-4-5-10)6-8-20-12-3-1-2-7-19-12/h9-10,12-13,18H,1-8H2
InChIKeyWHDGXSRONWETJE-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.47
Rot. Bonds6

About cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol

cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol (PubChem CID 169042452) has the molecular formula C14H21IN2O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
PubChem CID169042452
Molecular FormulaC14H21IN2O3
Molecular Weight392.24 g/mol
Exact Mass392.06
IUPAC Namecyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
SMILESOC(c1nc(I)cn1CCOC1CCCCO1)C1CC1
InChIInChI=1S/C14H21IN2O3/c15-11-9-17(14(16-11)13(18)10-4-5-10)6-8-20-12-3-1-2-7-19-12/h9-10,12-13,18H,1-8H2
InChIKeyWHDGXSRONWETJE-UHFFFAOYSA-N
XLogP2.47
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
[5-bromo-2-[2-(oxan-2-yloxy)ethyl]-1,2,4-triazol-3-yl]-(2,3,4-trifluorophenyl)methanol
CID 156579553
5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
CID 123399905
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol?
The IUPAC name of cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol (CID 169042452) is cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol?
The canonical SMILES for cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol is OC(c1nc(I)cn1CCOC1CCCCO1)C1CC1.
What is the InChIKey of cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol?
The InChIKey is WHDGXSRONWETJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O3/c15-11-9-17(14(16-11)13(18)10-4-5-10)6-8-20-12-3-1-2-7-19-12/h9-10,12-13,18H,1-8H2.
What are the key properties of cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol?
cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol has a molecular weight of 392.24 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol is sourced from PubChem (CID 169042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).