(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine

C18H18F3N5O2 — CID 56775969

IUPAC(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine
SMILESFC(F)(F)Oc1ccc(-c2cnc([C@@H]3COCCN3Cc3ncc[nH]3)[nH]2)cc1
InChIInChI=1S/C18H18F3N5O2/c19-18(20,21)28-13-3-1-12(2-4-13)14-9-24-17(25-14)15-11-27-8-7-26(15)10-16-22-5-6-23-16/h1-6,9,15H,7-8,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
InChIKeyWPCUCPSLMCKCOE-HNNXBMFYSA-N
MW393.37 g/mol
LogP3.27
Rot. Bonds5

About (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine

(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine (PubChem CID 56775969) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine
PubChem CID56775969
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine
SMILESFC(F)(F)Oc1ccc(-c2cnc([C@@H]3COCCN3Cc3ncc[nH]3)[nH]2)cc1
InChIInChI=1S/C18H18F3N5O2/c19-18(20,21)28-13-3-1-12(2-4-13)14-9-24-17(25-14)15-11-27-8-7-26(15)10-16-22-5-6-23-16/h1-6,9,15H,7-8,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
InChIKeyWPCUCPSLMCKCOE-HNNXBMFYSA-N
XLogP3.27
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.27
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-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415488
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
2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415479
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151142
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694177
4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151146
(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 71694244
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine (CID 56775969) is (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine is FC(F)(F)Oc1ccc(-c2cnc([C@@H]3COCCN3Cc3ncc[nH]3)[nH]2)cc1.
What is the InChIKey of (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine?
The InChIKey is WPCUCPSLMCKCOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c19-18(20,21)28-13-3-1-12(2-4-13)14-9-24-17(25-14)15-11-27-8-7-26(15)10-16-22-5-6-23-16/h1-6,9,15H,7-8,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1.
What are the key properties of (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine?
(3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine has a molecular weight of 393.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1H-imidazol-2-ylmethyl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 56775969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).