(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine

C22H25N3O2 — CID 56776036

IUPAC(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)14-25-11-12-27-15-21(25)22-23-13-20(24-22)18-7-9-19(26-2)10-8-18/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyLODUKNRJFPIYDE-NRFANRHFSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds5

About (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine

(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine (PubChem CID 56776036) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
PubChem CID56776036
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)14-25-11-12-27-15-21(25)22-23-13-20(24-22)18-7-9-19(26-2)10-8-18/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyLODUKNRJFPIYDE-NRFANRHFSA-N
XLogP3.97
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine?
The IUPAC name of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine (CID 56776036) is (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine.
What is the SMILES notation for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine?
The canonical SMILES for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine is COc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C)cc3)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine?
The InChIKey is LODUKNRJFPIYDE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)14-25-11-12-27-15-21(25)22-23-13-20(24-22)18-7-9-19(26-2)10-8-18/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine?
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine has a molecular weight of 363.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 56776036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).