1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine

C15H17F2N3 — CID 144716311

IUPAC1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(C)C(N)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C15H17F2N3/c1-4-15(2,3)13(18)14-19-8-12(20-14)10-7-9(16)5-6-11(10)17/h4-8,13H,1,18H2,2-3H3,(H,19,20)
InChIKeyLZGYZLQBKDEOBS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.57
Rot. Bonds4

About 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine

1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine (PubChem CID 144716311) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine
PubChem CID144716311
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(C)C(N)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C15H17F2N3/c1-4-15(2,3)13(18)14-19-8-12(20-14)10-7-9(16)5-6-11(10)17/h4-8,13H,1,18H2,2-3H3,(H,19,20)
InChIKeyLZGYZLQBKDEOBS-UHFFFAOYSA-N
XLogP3.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine (CID 144716311) is 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine is C=CC(C)(C)C(N)c1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine?
The InChIKey is LZGYZLQBKDEOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-4-15(2,3)13(18)14-19-8-12(20-14)10-7-9(16)5-6-11(10)17/h4-8,13H,1,18H2,2-3H3,(H,19,20).
What are the key properties of 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine?
1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine has a molecular weight of 277.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 144716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).