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

C23H28N4O2 — CID 78151248

IUPAC4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
SMILESCOc1cccc(-c2cnc(C3COCCN3Cc3ccc(N(C)C)cc3)[nH]2)c1
InChIInChI=1S/C23H28N4O2/c1-26(2)19-9-7-17(8-10-19)15-27-11-12-29-16-22(27)23-24-14-21(25-23)18-5-4-6-20(13-18)28-3/h4-10,13-14,22H,11-12,15-16H2,1-3H3,(H,24,25)
InChIKeyJFZSAUAPWJJNSW-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.72
Rot. Bonds6

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

4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline (PubChem CID 78151248) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
PubChem CID78151248
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
SMILESCOc1cccc(-c2cnc(C3COCCN3Cc3ccc(N(C)C)cc3)[nH]2)c1
InChIInChI=1S/C23H28N4O2/c1-26(2)19-9-7-17(8-10-19)15-27-11-12-29-16-22(27)23-24-14-21(25-23)18-5-4-6-20(13-18)28-3/h4-10,13-14,22H,11-12,15-16H2,1-3H3,(H,24,25)
InChIKeyJFZSAUAPWJJNSW-UHFFFAOYSA-N
XLogP3.72
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
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
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 71694253
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
CID 75529629
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline (CID 78151248) is 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline is COc1cccc(-c2cnc(C3COCCN3Cc3ccc(N(C)C)cc3)[nH]2)c1.
What is the InChIKey of 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline?
The InChIKey is JFZSAUAPWJJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)19-9-7-17(8-10-19)15-27-11-12-29-16-22(27)23-24-14-21(25-23)18-5-4-6-20(13-18)28-3/h4-10,13-14,22H,11-12,15-16H2,1-3H3,(H,24,25).
What are the key properties of 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline?
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline has a molecular weight of 392.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 78151248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).