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

C10H9ClFN3 — CID 114702535

IUPAC[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyILTLHKOZVJJKJD-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.12
Rot. Bonds2

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

[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine (PubChem CID 114702535) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
PubChem CID114702535
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyILTLHKOZVJJKJD-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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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine (CID 114702535) is [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine is NCc1cncn1-c1ccc(F)cc1Cl.
What is the InChIKey of [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine?
The InChIKey is ILTLHKOZVJJKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2.
What are the key properties of [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine?
[3-(2-chloro-4-fluorophenyl)imidazol-4-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 [3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114702535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).