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

C12H13F2N3O — CID 62225201

IUPAC5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2ccc(OC(F)F)cc2)c(N)n1C
InChIInChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-3-5-9(6-4-8)18-12(13)14/h3-6,12H,15H2,1-2H3
InChIKeyASJXRYRYQLTCIY-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.58
Rot. Bonds3

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

5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine (PubChem CID 62225201) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
PubChem CID62225201
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2ccc(OC(F)F)cc2)c(N)n1C
InChIInChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-3-5-9(6-4-8)18-12(13)14/h3-6,12H,15H2,1-2H3
InChIKeyASJXRYRYQLTCIY-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine (CID 62225201) is 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine is Cc1nc(-c2ccc(OC(F)F)cc2)c(N)n1C.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
The InChIKey is ASJXRYRYQLTCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7-16-10(11(15)17(7)2)8-3-5-9(6-4-8)18-12(13)14/h3-6,12H,15H2,1-2H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine?
5-[4-(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-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 62225201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).