2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine

C18H16F2IN3O2 — CID 118141898

IUPAC2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyHLYHWQUODQDWPM-UHFFFAOYSA-N
MW471.25 g/mol
LogP4.46
Rot. Bonds7

About 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine

2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine (PubChem CID 118141898) has the molecular formula C18H16F2IN3O2 and a molecular weight of 471.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
PubChem CID118141898
Molecular FormulaC18H16F2IN3O2
Molecular Weight471.25 g/mol
Exact Mass471.03
IUPAC Name2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyHLYHWQUODQDWPM-UHFFFAOYSA-N
XLogP4.46
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine (CID 118141898) is 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine is COc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1.
What is the InChIKey of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The InChIKey is HLYHWQUODQDWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine has a molecular weight of 471.25 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 118141898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).