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

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Related Compounds

Lepidine D
CID 100927766
Lepidine B
CID 100927764
Lepidine C
CID 100927765
Lepidine E
CID 100927767
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy}propan-2-ol
CID 13621752
3-[3,4-Dimethoxyphenylethylamino]-2-hydroxy-1-[4-[2-imidazolylmethoxymethyl]phenoxy]propane
CID 13621772
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(1H-imidazol-2-yl)methoxy]phenoxy}propan-2-ol
CID 13621774
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
4-[[(3-ethoxy-4-propan-2-yloxyphenyl)-(1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 11654059
1-(beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl)-1H-imidazole hydrochloride
CID 11957693
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157371
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157374

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).