1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine

C13H15F2N3 — CID 106570292

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3/c1-9-8-18(13(16-2)17-9)4-3-10-5-11(14)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyIEUYJGCKXYPSRU-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine

1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106570292) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
PubChem CID106570292
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3/c1-9-8-18(13(16-2)17-9)4-3-10-5-11(14)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyIEUYJGCKXYPSRU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Detomidine
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
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1-Methyl-5-phenyl-imidazol-2-amine
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1-Methyl-5-phenyl-1H-imidazole
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Fub 349
CID 9990388
1-(3-(4-fluorophenyl)propyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine (CID 106570292) is 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1CCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is IEUYJGCKXYPSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9-8-18(13(16-2)17-9)4-3-10-5-11(14)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).