3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

C16H18F3N3O — CID 110105489

IUPAC3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1cnc(C2COCCN2Cc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C16H18F3N3O/c1-11-8-20-15(21-11)14-10-23-7-6-22(14)9-12-2-4-13(5-3-12)16(17,18)19/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyMOWUSZVYXJWENC-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.31
Rot. Bonds3

About 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 110105489) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID110105489
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1cnc(C2COCCN2Cc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C16H18F3N3O/c1-11-8-20-15(21-11)14-10-23-7-6-22(14)9-12-2-4-13(5-3-12)16(17,18)19/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyMOWUSZVYXJWENC-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
CID 125025974
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125021783
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105450
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 110105489) is 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is Cc1cnc(C2COCCN2Cc2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is MOWUSZVYXJWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-11-8-20-15(21-11)14-10-23-7-6-22(14)9-12-2-4-13(5-3-12)16(17,18)19/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 325.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 110105489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).