5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine

C13H16FN3 — CID 62017942

IUPAC5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccccc2F)c1N
InChIInChI=1S/C13H16FN3/c1-9(2)7-17-8-16-12(13(17)15)10-5-3-4-6-11(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyLOZUUYXNGFAAFT-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.93
Rot. Bonds3

About 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62017942) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62017942
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccccc2F)c1N
InChIInChI=1S/C13H16FN3/c1-9(2)7-17-8-16-12(13(17)15)10-5-3-4-6-11(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyLOZUUYXNGFAAFT-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62017942) is 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine is CC(C)Cn1cnc(-c2ccccc2F)c1N.
What is the InChIKey of 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is LOZUUYXNGFAAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)7-17-8-16-12(13(17)15)10-5-3-4-6-11(10)14/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 233.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62017942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).