5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine

C13H16FN3 — CID 62220284

IUPAC5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2)c(N)n1C
InChIInChI=1S/C13H16FN3/c1-3-4-11-16-12(13(15)17(11)2)9-5-7-10(14)8-6-9/h5-8H,3-4,15H2,1-2H3
InChIKeyJJQPHBNSYYHIFZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.76
Rot. Bonds3

About 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine

5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine (PubChem CID 62220284) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
PubChem CID62220284
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2)c(N)n1C
InChIInChI=1S/C13H16FN3/c1-3-4-11-16-12(13(15)17(11)2)9-5-7-10(14)8-6-9/h5-8H,3-4,15H2,1-2H3
InChIKeyJJQPHBNSYYHIFZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine (CID 62220284) is 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine is CCCc1nc(-c2ccc(F)cc2)c(N)n1C.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The InChIKey is JJQPHBNSYYHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-4-11-16-12(13(15)17(11)2)9-5-7-10(14)8-6-9/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine has a molecular weight of 233.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62220284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).