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

C14H19F2N3O — CID 79510559

IUPAC5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O/c1-9(2)19-13(17)18-8-14(19,3)10-5-4-6-11(7-10)20-12(15)16/h4-7,9,12H,8H2,1-3H3,(H2,17,18)
InChIKeyXVALRCROSQFVMW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.54
Rot. Bonds4

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

5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79510559) 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-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79510559
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2N3O/c1-9(2)19-13(17)18-8-14(19,3)10-5-4-6-11(7-10)20-12(15)16/h4-7,9,12H,8H2,1-3H3,(H2,17,18)
InChIKeyXVALRCROSQFVMW-UHFFFAOYSA-N
XLogP2.54
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (CID 79510559) is 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is CC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is XVALRCROSQFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(2)19-13(17)18-8-14(19,3)10-5-4-6-11(7-10)20-12(15)16/h4-7,9,12H,8H2,1-3H3,(H2,17,18).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 283.32 g/mol, XLogP of 2.54, 4 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-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79510559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).