1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine

C12H13F2N3 — CID 43649904

IUPAC1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-2-9(15)12-16-6-10(17-12)11-7(13)4-3-5-8(11)14/h3-6,9H,2,15H2,1H3,(H,16,17)
InChIKeyJFJAHJDEBDGHLN-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.76
Rot. Bonds3

About 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine

1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43649904) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43649904
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-2-9(15)12-16-6-10(17-12)11-7(13)4-3-5-8(11)14/h3-6,9H,2,15H2,1H3,(H,16,17)
InChIKeyJFJAHJDEBDGHLN-UHFFFAOYSA-N
XLogP2.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 43649887
1-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649901
1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649951
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79813479
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649883
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651692
2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
CID 83850964
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 63990889

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine (CID 43649904) is 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine is CCC(N)c1ncc(-c2c(F)cccc2F)[nH]1.
What is the InChIKey of 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is JFJAHJDEBDGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-9(15)12-16-6-10(17-12)11-7(13)4-3-5-8(11)14/h3-6,9H,2,15H2,1H3,(H,16,17).
What are the key properties of 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43649904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).