5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C14H19F2N3O2 — CID 79500723

IUPAC5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O2/c1-14(9-18-13(17)19(14)6-7-20-2)10-4-3-5-11(8-10)21-12(15)16/h3-5,8,12H,6-7,9H2,1-2H3,(H2,17,18)
InChIKeyZGMAQGJDMNFQTD-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.78
Rot. Bonds6

About 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79500723) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79500723
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O2/c1-14(9-18-13(17)19(14)6-7-20-2)10-4-3-5-11(8-10)21-12(15)16/h3-5,8,12H,6-7,9H2,1-2H3,(H2,17,18)
InChIKeyZGMAQGJDMNFQTD-UHFFFAOYSA-N
XLogP1.78
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-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 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79500723) is 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is ZGMAQGJDMNFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-14(9-18-13(17)19(14)6-7-20-2)10-4-3-5-11(8-10)21-12(15)16/h3-5,8,12H,6-7,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 299.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79500723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).