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

C10H9ClFN3 — CID 82287676

IUPAC[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
SMILESNCc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-8-5-7(1-2-9(8)12)15-4-3-14-10(15)6-13/h1-5H,6,13H2
InChIKeyLFFNKGWMOLDKPU-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.12
Rot. Bonds2

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

[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine (PubChem CID 82287676) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
PubChem CID82287676
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
SMILESNCc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-8-5-7(1-2-9(8)12)15-4-3-14-10(15)6-13/h1-5H,6,13H2
InChIKeyLFFNKGWMOLDKPU-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde
CID 156500377
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854
[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 62945208
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 178200565
1-(4-chlorophenyl)imidazol-2-amine
CID 106558475
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
1-(3-chloro-4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
CID 7386474

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine (CID 82287676) is [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine is NCc1nccn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine?
The InChIKey is LFFNKGWMOLDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-8-5-7(1-2-9(8)12)15-4-3-14-10(15)6-13/h1-5H,6,13H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine?
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine has a molecular weight of 225.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine is sourced from PubChem (CID 82287676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).