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

C13H15F2N3 — CID 116877050

IUPAC3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-8(6-16)4-13-17-7-12(18-13)10-5-9(14)2-3-11(10)15/h2-3,5,7-8H,4,6,16H2,1H3,(H,17,18)
InChIKeyQIIIPGQGJXYJSN-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.49
Rot. Bonds4

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

3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 116877050) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID116877050
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-8(6-16)4-13-17-7-12(18-13)10-5-9(14)2-3-11(10)15/h2-3,5,7-8H,4,6,16H2,1H3,(H,17,18)
InChIKeyQIIIPGQGJXYJSN-UHFFFAOYSA-N
XLogP2.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877072
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230623
N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 63925780
2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol
CID 116882964
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65457746
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877075
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876929
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]methanol
CID 116878314

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 116877050) is 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is CC(CN)Cc1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is QIIIPGQGJXYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8(6-16)4-13-17-7-12(18-13)10-5-9(14)2-3-11(10)15/h2-3,5,7-8H,4,6,16H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116877050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).