2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine

C12H13F2N3 — CID 65457746

IUPAC2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-12(2,15)11-16-6-10(17-11)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyCSYAWMFWYHOVDL-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.55
Rot. Bonds2

About 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine

2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65457746) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID65457746
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-12(2,15)11-16-6-10(17-11)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyCSYAWMFWYHOVDL-UHFFFAOYSA-N
XLogP2.55
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine (CID 65457746) is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine is CC(C)(N)c1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is CSYAWMFWYHOVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-12(2,15)11-16-6-10(17-11)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65457746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).