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

C18H19F2N3O — CID 139514853

IUPAC2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol
SMILESCc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)c1
InChIInChI=1S/C18H19F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9,16,24H,1-3H3,(H2,21,22)
InChIKeyYGNMOGNYGOOISZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.40
Rot. Bonds2

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

2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol (PubChem CID 139514853) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol
PubChem CID139514853
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol
SMILESCc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)c1
InChIInChI=1S/C18H19F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9,16,24H,1-3H3,(H2,21,22)
InChIKeyYGNMOGNYGOOISZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol (CID 139514853) is 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol is Cc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)c1.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol?
The InChIKey is YGNMOGNYGOOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9,16,24H,1-3H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol?
2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol has a molecular weight of 331.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methyl-4H-imidazol-4-ol is sourced from PubChem (CID 139514853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).