2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine

C15H15F3N4O — CID 67413092

IUPAC2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine
SMILESNN1CCOC(=C(c2ccccc2C(F)(F)F)n2ccnc2)C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-11(12)14(21-6-5-20-10-21)13-9-22(19)7-8-23-13/h1-6,10H,7-9,19H2
InChIKeyASCMJXMMPUEYQJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.32
Rot. Bonds2

About 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine

2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine (PubChem CID 67413092) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine.

Molecular Properties

Compound Name2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine
PubChem CID67413092
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine
SMILESNN1CCOC(=C(c2ccccc2C(F)(F)F)n2ccnc2)C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-11(12)14(21-6-5-20-10-21)13-9-22(19)7-8-23-13/h1-6,10H,7-9,19H2
InChIKeyASCMJXMMPUEYQJ-UHFFFAOYSA-N
XLogP2.32
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine
CID 67415518
2-[imidazol-1-yl-[2-(4-phenoxybutoxy)phenyl]methylidene]pyrrolidin-1-amine
CID 67412784
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline
CID 143860075
[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
CID 110463462
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977
5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 143955750

Frequently Asked Questions

What is the IUPAC name of 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine?
The IUPAC name of 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine (CID 67413092) is 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine.
What is the SMILES notation for 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine?
The canonical SMILES for 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine is NN1CCOC(=C(c2ccccc2C(F)(F)F)n2ccnc2)C1.
What is the InChIKey of 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine?
The InChIKey is ASCMJXMMPUEYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-11(12)14(21-6-5-20-10-21)13-9-22(19)7-8-23-13/h1-6,10H,7-9,19H2.
What are the key properties of 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine?
2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine has a molecular weight of 324.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine is sourced from PubChem (CID 67413092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).