1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H14BrF2N3O — CID 106583039

IUPAC1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-5-9(14)10(15)6-11(12)16/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyVOMYMTQRXLXBJR-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106583039) has the molecular formula C13H14BrF2N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106583039
Molecular FormulaC13H14BrF2N3O
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-5-9(14)10(15)6-11(12)16/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyVOMYMTQRXLXBJR-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.28
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_1', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106583039) is 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1-c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is VOMYMTQRXLXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-5-9(14)10(15)6-11(12)16/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 346.18 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).