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

C22H23N3O4 — CID 56776019

IUPAC4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C(=O)O)cc3)[nH]2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-18-8-6-16(7-9-18)19-12-23-21(24-19)20-14-29-11-10-25(20)13-15-2-4-17(5-3-15)22(26)27/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)(H,26,27)/t20-/m0/s1
InChIKeyZSTKQNRFIFCKAX-FQEVSTJZSA-N
MW393.44 g/mol
LogP3.36
Rot. Bonds6

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

4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid (PubChem CID 56776019) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
PubChem CID56776019
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C(=O)O)cc3)[nH]2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-18-8-6-16(7-9-18)19-12-23-21(24-19)20-14-29-11-10-25(20)13-15-2-4-17(5-3-15)22(26)27/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)(H,26,27)/t20-/m0/s1
InChIKeyZSTKQNRFIFCKAX-FQEVSTJZSA-N
XLogP3.36
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine
CID 56775969
(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 71694244
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid (CID 56776019) is 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid is COc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccc(C(=O)O)cc3)[nH]2)cc1.
What is the InChIKey of 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid?
The InChIKey is ZSTKQNRFIFCKAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-18-8-6-16(7-9-18)19-12-23-21(24-19)20-14-29-11-10-25(20)13-15-2-4-17(5-3-15)22(26)27/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)(H,26,27)/t20-/m0/s1.
What are the key properties of 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid?
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid has a molecular weight of 393.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 56776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).