2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole

C21H20N4O2 — CID 100927765

IUPAC2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole
SMILESCOc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25)
InChIKeyGTJSRUGILPIENS-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.12
Rot. Bonds7

About 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole

2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole (PubChem CID 100927765) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole
PubChem CID100927765
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole
SMILESCOc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25)
InChIKeyGTJSRUGILPIENS-UHFFFAOYSA-N
XLogP4.12
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole (CID 100927765) is 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole is COc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The InChIKey is GTJSRUGILPIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole has a molecular weight of 360.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 100927765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).