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

C19H25N3O3 — CID 71694284

IUPAC4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2Cc2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)16-10-20-17(21-16)15-12-25-9-8-22(15)11-13-4-6-14(7-5-13)18(23)24/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,21)(H,23,24)/t15-/m0/s1
InChIKeyIDPXSZPQENBHTG-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.98
Rot. Bonds4

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

4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid (PubChem CID 71694284) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
PubChem CID71694284
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2Cc2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)16-10-20-17(21-16)15-12-25-9-8-22(15)11-13-4-6-14(7-5-13)18(23)24/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,21)(H,23,24)/t15-/m0/s1
InChIKeyIDPXSZPQENBHTG-HNNXBMFYSA-N
XLogP2.98
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
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
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid (CID 71694284) is 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid is CC(C)(C)c1cnc([C@@H]2COCCN2Cc2ccc(C(=O)O)cc2)[nH]1.
What is the InChIKey of 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The InChIKey is IDPXSZPQENBHTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)16-10-20-17(21-16)15-12-25-9-8-22(15)11-13-4-6-14(7-5-13)18(23)24/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,21)(H,23,24)/t15-/m0/s1.
What are the key properties of 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid has a molecular weight of 343.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 71694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).