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

C18H19F2N3O — CID 113248396

IUPAC1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22)
InChIKeyGUKGHAAIWCEIQL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds5

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

1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 113248396) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
PubChem CID113248396
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22)
InChIKeyGUKGHAAIWCEIQL-UHFFFAOYSA-N
XLogP3.33
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine (CID 113248396) is 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is CC1(c2ccccc2OC(F)F)CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is GUKGHAAIWCEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-18(14-9-5-6-10-15(14)24-16(19)20)12-22-17(21)23(18)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H2,21,22).
What are the key properties of 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine?
1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 331.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 113248396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).