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

C14H19F2N3O — CID 79509618

IUPAC5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O/c1-3-7-19-13(17)18-9-14(19,2)10-5-4-6-11(8-10)20-12(15)16/h4-6,8,12H,3,7,9H2,1-2H3,(H2,17,18)
InChIKeyIDPJGVMLSOQDTO-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.54
Rot. Bonds5

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

5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine (PubChem CID 79509618) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine
PubChem CID79509618
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O/c1-3-7-19-13(17)18-9-14(19,2)10-5-4-6-11(8-10)20-12(15)16/h4-6,8,12H,3,7,9H2,1-2H3,(H2,17,18)
InChIKeyIDPJGVMLSOQDTO-UHFFFAOYSA-N
XLogP2.54
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine (CID 79509618) is 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine is CCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The InChIKey is IDPJGVMLSOQDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-3-7-19-13(17)18-9-14(19,2)10-5-4-6-11(8-10)20-12(15)16/h4-6,8,12H,3,7,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine has a molecular weight of 283.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).