2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol

C17H19F2N3O — CID 139514868

IUPAC2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol
SMILESC=C/C=C\C=C(/C)C1(c2cc(F)cc(F)c2)N=C(N)N(C)C1O
InChIInChI=1S/C17H19F2N3O/c1-4-5-6-7-11(2)17(15(23)22(3)16(20)21-17)12-8-13(18)10-14(19)9-12/h4-10,15,23H,1H2,2-3H3,(H2,20,21)/b6-5-,11-7+
InChIKeyXWSJMUJEZQFABW-GNLLZQBYSA-N
MW319.36 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol

2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol (PubChem CID 139514868) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol
PubChem CID139514868
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol
SMILESC=C/C=C\C=C(/C)C1(c2cc(F)cc(F)c2)N=C(N)N(C)C1O
InChIInChI=1S/C17H19F2N3O/c1-4-5-6-7-11(2)17(15(23)22(3)16(20)21-17)12-8-13(18)10-14(19)9-12/h4-10,15,23H,1H2,2-3H3,(H2,20,21)/b6-5-,11-7+
InChIKeyXWSJMUJEZQFABW-GNLLZQBYSA-N
XLogP2.43
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol (CID 139514868) is 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol is C=C/C=C\C=C(/C)C1(c2cc(F)cc(F)c2)N=C(N)N(C)C1O.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol?
The InChIKey is XWSJMUJEZQFABW-GNLLZQBYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-4-5-6-7-11(2)17(15(23)22(3)16(20)21-17)12-8-13(18)10-14(19)9-12/h4-10,15,23H,1H2,2-3H3,(H2,20,21)/b6-5-,11-7+.
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol?
2-amino-5-(3,5-difluorophenyl)-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol has a molecular weight of 319.36 g/mol, XLogP of 2.43, 4 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-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-4H-imidazol-4-ol is sourced from PubChem (CID 139514868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).