2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol

C16H13F4N3O — CID 135219360

IUPAC2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol
SMILESCN1C(N)=NC(c2cc(F)cc(F)c2)(c2ccc(F)c(F)c2)C1O
InChIInChI=1S/C16H13F4N3O/c1-23-14(24)16(22-15(23)21,8-2-3-12(19)13(20)6-8)9-4-10(17)7-11(18)5-9/h2-7,14,24H,1H3,(H2,21,22)
InChIKeyOVHKNBRUFLFSKE-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol

2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol (PubChem CID 135219360) has the molecular formula C16H13F4N3O and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol
PubChem CID135219360
Molecular FormulaC16H13F4N3O
Molecular Weight339.29 g/mol
Exact Mass339.10
IUPAC Name2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol
SMILESCN1C(N)=NC(c2cc(F)cc(F)c2)(c2ccc(F)c(F)c2)C1O
InChIInChI=1S/C16H13F4N3O/c1-23-14(24)16(22-15(23)21,8-2-3-12(19)13(20)6-8)9-4-10(17)7-11(18)5-9/h2-7,14,24H,1H3,(H2,21,22)
InChIKeyOVHKNBRUFLFSKE-UHFFFAOYSA-N
XLogP2.07
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol?
The IUPAC name of 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol (CID 135219360) is 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol is CN1C(N)=NC(c2cc(F)cc(F)c2)(c2ccc(F)c(F)c2)C1O.
What is the InChIKey of 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol?
The InChIKey is OVHKNBRUFLFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O/c1-23-14(24)16(22-15(23)21,8-2-3-12(19)13(20)6-8)9-4-10(17)7-11(18)5-9/h2-7,14,24H,1H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol?
2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol has a molecular weight of 339.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-difluorophenyl)-5-(3,5-difluorophenyl)-3-methyl-4H-imidazol-4-ol is sourced from PubChem (CID 135219360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).