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

C15H21F2N3O — CID 79502717

IUPAC1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2N3O/c1-4-10(2)20-14(18)19-9-15(20,3)11-6-5-7-12(8-11)21-13(16)17/h5-8,10,13H,4,9H2,1-3H3,(H2,18,19)
InChIKeyLAHUQUBKPGWONG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.93
Rot. Bonds5

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

1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 79502717) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
PubChem CID79502717
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2N3O/c1-4-10(2)20-14(18)19-9-15(20,3)11-6-5-7-12(8-11)21-13(16)17/h5-8,10,13H,4,9H2,1-3H3,(H2,18,19)
InChIKeyLAHUQUBKPGWONG-UHFFFAOYSA-N
XLogP2.93
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (CID 79502717) is 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is LAHUQUBKPGWONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-4-10(2)20-14(18)19-9-15(20,3)11-6-5-7-12(8-11)21-13(16)17/h5-8,10,13H,4,9H2,1-3H3,(H2,18,19).
What are the key properties of 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 297.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79502717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).