2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol

C21H23N3O3 — CID 78151252

IUPAC2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
SMILESCOc1cccc(-c2cnc(C3COCCN3Cc3ccccc3O)[nH]2)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-7-4-6-15(11-17)18-12-22-21(23-18)19-14-27-10-9-24(19)13-16-5-2-3-8-20(16)25/h2-8,11-12,19,25H,9-10,13-14H2,1H3,(H,22,23)
InChIKeyUEVGAXHMWQOQOQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.36
Rot. Bonds5

About 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol

2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol (PubChem CID 78151252) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
PubChem CID78151252
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
SMILESCOc1cccc(-c2cnc(C3COCCN3Cc3ccccc3O)[nH]2)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-7-4-6-15(11-17)18-12-22-21(23-18)19-14-27-10-9-24(19)13-16-5-2-3-8-20(16)25/h2-8,11-12,19,25H,9-10,13-14H2,1H3,(H,22,23)
InChIKeyUEVGAXHMWQOQOQ-UHFFFAOYSA-N
XLogP3.36
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 71694244
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 71694253
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151161
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 78151185
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 71694104

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The IUPAC name of 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol (CID 78151252) is 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol is COc1cccc(-c2cnc(C3COCCN3Cc3ccccc3O)[nH]2)c1.
What is the InChIKey of 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The InChIKey is UEVGAXHMWQOQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-7-4-6-15(11-17)18-12-22-21(23-18)19-14-27-10-9-24(19)13-16-5-2-3-8-20(16)25/h2-8,11-12,19,25H,9-10,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol has a molecular weight of 365.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 78151252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).