(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine

C12H13F2N3 — CID 104941719

IUPAC(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-2-10(15)12-6-16-7-17(12)11-5-8(13)3-4-9(11)14/h3-7,10H,2,15H2,1H3/t10-/m1/s1
InChIKeyYONPPXKLFMXUOL-SNVBAGLBSA-N
MW237.25 g/mol
LogP2.56
Rot. Bonds3

About (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine (PubChem CID 104941719) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
PubChem CID104941719
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-2-10(15)12-6-16-7-17(12)11-5-8(13)3-4-9(11)14/h3-7,10H,2,15H2,1H3/t10-/m1/s1
InChIKeyYONPPXKLFMXUOL-SNVBAGLBSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine
CID 114702996
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114704029
(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
CID 104943675
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874
2-amino-2-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanol
CID 114704452

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine (CID 104941719) is (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is YONPPXKLFMXUOL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-10(15)12-6-16-7-17(12)11-5-8(13)3-4-9(11)14/h3-7,10H,2,15H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104941719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).