1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine

C14H18F3N3O — CID 79502268

IUPAC1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c1-13(9-19-12(18)20(13)7-8-21-2)10-3-5-11(6-4-10)14(15,16)17/h3-6H,7-9H2,1-2H3,(H2,18,19)
InChIKeyKGPROVLOWMEIJU-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine

1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine (PubChem CID 79502268) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
PubChem CID79502268
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c1-13(9-19-12(18)20(13)7-8-21-2)10-3-5-11(6-4-10)14(15,16)17/h3-6H,7-9H2,1-2H3,(H2,18,19)
InChIKeyKGPROVLOWMEIJU-UHFFFAOYSA-N
XLogP2.20
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine (CID 79502268) is 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The InChIKey is KGPROVLOWMEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-13(9-19-12(18)20(13)7-8-21-2)10-3-5-11(6-4-10)14(15,16)17/h3-6H,7-9H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine has a molecular weight of 301.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine is sourced from PubChem (CID 79502268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).