5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine

C13H15F2N3O — CID 55048726

IUPAC5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C13H15F2N3O/c1-3-10-17-11(12(16)18(10)2)8-6-4-5-7-9(8)19-13(14)15/h4-7,13H,3,16H2,1-2H3
InChIKeyHSCXWLKKTDSWDR-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.83
Rot. Bonds4

About 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine

5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine (PubChem CID 55048726) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine
PubChem CID55048726
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C13H15F2N3O/c1-3-10-17-11(12(16)18(10)2)8-6-4-5-7-9(8)19-13(14)15/h4-7,13H,3,16H2,1-2H3
InChIKeyHSCXWLKKTDSWDR-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine (CID 55048726) is 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine is CCc1nc(-c2ccccc2OC(F)F)c(N)n1C.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine?
The InChIKey is HSCXWLKKTDSWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-10-17-11(12(16)18(10)2)8-6-4-5-7-9(8)19-13(14)15/h4-7,13H,3,16H2,1-2H3.
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine?
5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 55048726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).