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

C11H11ClFN3 — CID 134263748

IUPAC1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H11ClFN3/c1-7(14)10-5-16(6-15-10)11-3-2-8(12)4-9(11)13/h2-7H,14H2,1H3
InChIKeyTVWFQODIDACOSL-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.68
Rot. Bonds2

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

1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 134263748) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine
PubChem CID134263748
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H11ClFN3/c1-7(14)10-5-16(6-15-10)11-3-2-8(12)4-9(11)13/h2-7H,14H2,1H3
InChIKeyTVWFQODIDACOSL-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-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
CID 134263758
4-fluoro-3-(4-propan-2-ylimidazol-1-yl)aniline
CID 82512745
[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol
CID 142276609
1-[1-(4-chloro-2-fluorophenyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202203
(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethanamine
CID 130469639
2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine
CID 83888814
1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 154960636
(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 130469846
1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 160655070
2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol
CID 83889906
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
4-(4-tert-butylimidazol-1-yl)-3-fluoroaniline
CID 82513179

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine (CID 134263748) is 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine is CC(N)c1cn(-c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is TVWFQODIDACOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7(14)10-5-16(6-15-10)11-3-2-8(12)4-9(11)13/h2-7H,14H2,1H3.
What are the key properties of 1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine?
1-[1-(4-chloro-2-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-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 134263748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).