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

C11H11ClFN3 — CID 114705178

IUPAC1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)8-2-3-9(12)10(13)4-8/h2-7H,14H2,1H3
InChIKeyUVWGATPVFUCTLA-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.68
Rot. Bonds2

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

1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114705178) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
PubChem CID114705178
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)8-2-3-9(12)10(13)4-8/h2-7H,14H2,1H3
InChIKeyUVWGATPVFUCTLA-UHFFFAOYSA-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-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969634
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine (CID 114705178) is 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is UVWGATPVFUCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7(14)11-5-15-6-16(11)8-2-3-9(12)10(13)4-8/h2-7H,14H2,1H3.
What are the key properties of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine?
1-[3-(4-chloro-3-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 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).