5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine

C12H13F2N3O — CID 62226698

IUPAC5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-5-3-4-6-9(8)18-12(13)14/h3-6,12H,15H2,1-2H3
InChIKeyVJTXRHYOQRWSML-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.58
Rot. Bonds3

About 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine

5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine (PubChem CID 62226698) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
PubChem CID62226698
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-5-3-4-6-9(8)18-12(13)14/h3-6,12H,15H2,1-2H3
InChIKeyVJTXRHYOQRWSML-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine
CID 62226765
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
CID 83203364
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
CID 113456519
[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62250939
2-(difluoromethoxy)-5-(2-methylphenyl)aniline
CID 82087082
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 55047871
3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 62224490
2-[2-(difluoromethoxy)phenyl]-5-methylimidazo[1,2-a]pyridine
CID 115403932

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine (CID 62226698) is 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine is Cc1nc(-c2ccccc2OC(F)F)c(N)n1C.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The InChIKey is VJTXRHYOQRWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-5-3-4-6-9(8)18-12(13)14/h3-6,12H,15H2,1-2H3.
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine has a molecular weight of 253.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 62226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).