N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine

C13H14F3N3O — CID 106556809

IUPACN-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O/c1-8-7-19(13(18-8)17-5-6-20-2)10-4-3-9(14)11(15)12(10)16/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyRZAFJOQFUMGYJD-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.66
Rot. Bonds5

About N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine

N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (PubChem CID 106556809) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
PubChem CID106556809
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O/c1-8-7-19(13(18-8)17-5-6-20-2)10-4-3-9(14)11(15)12(10)16/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyRZAFJOQFUMGYJD-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106563610
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106583039
1-(2,5-dibromophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106566380
N-(2-methoxyethyl)-4-methyl-1-(2-propylphenyl)imidazol-2-amine
CID 106567372
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 107618196

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (CID 106556809) is N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is COCCNc1nc(C)cn1-c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The InChIKey is RZAFJOQFUMGYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-7-19(13(18-8)17-5-6-20-2)10-4-3-9(14)11(15)12(10)16/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).