2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole

C21H20N4O2 — CID 131751423

IUPAC2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole
SMILESCOc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyYDQJXVYGARVLRT-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.12
Rot. Bonds7

About 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole

2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole (PubChem CID 131751423) 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)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole
PubChem CID131751423
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole
SMILESCOc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1
InChIInChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyYDQJXVYGARVLRT-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

Analyze 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole (CID 131751423) is 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole is COc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
The InChIKey is YDQJXVYGARVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole?
2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-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)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 131751423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).