(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine

C11H11ClFN3 — CID 104941508

IUPAC(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyAAKWFQMPIYGOAC-SSDOTTSWSA-N
MW239.68 g/mol
LogP2.68
Rot. Bonds2

About (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104941508) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
PubChem CID104941508
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyAAKWFQMPIYGOAC-SSDOTTSWSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114705178
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
CID 104942363
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine (CID 104941508) is (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1-c1ccc(F)cc1Cl.
What is the InChIKey of (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is AAKWFQMPIYGOAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 239.68 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).