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

C12H13F2N3 — CID 82559838

IUPAC3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3/c13-10-6-9(7-11(14)8-10)12-16-3-5-17(12)4-1-2-15/h3,5-8H,1-2,4,15H2
InChIKeyBQBHGTBTZURQPH-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.18
Rot. Bonds4

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

3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine (PubChem CID 82559838) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
PubChem CID82559838
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3/c13-10-6-9(7-11(14)8-10)12-16-3-5-17(12)4-1-2-15/h3,5-8H,1-2,4,15H2
InChIKeyBQBHGTBTZURQPH-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,5-difluorophenyl)imidazol-1-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

2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559620
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
4-[2-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559638
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
3-(2-methoxyimidazol-1-yl)propan-1-amine
CID 82416306
3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide
CID 82559847
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine (CID 82559838) is 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine is NCCCn1ccnc1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine?
The InChIKey is BQBHGTBTZURQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-10-6-9(7-11(14)8-10)12-16-3-5-17(12)4-1-2-15/h3,5-8H,1-2,4,15H2.
What are the key properties of 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine?
3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82559838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).