5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

C13H18FN3 — CID 79514051

IUPAC5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCC1CN=C(N)N1c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c1-2-3-6-12-9-16-13(15)17(12)11-7-4-5-10(14)8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H2,15,16)
InChIKeyNQXRYSOPOKFMMQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.52
Rot. Bonds4

About 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514051) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514051
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCC1CN=C(N)N1c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c1-2-3-6-12-9-16-13(15)17(12)11-7-4-5-10(14)8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H2,15,16)
InChIKeyNQXRYSOPOKFMMQ-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79514051) is 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is CCCCC1CN=C(N)N1c1cccc(F)c1.
What is the InChIKey of 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NQXRYSOPOKFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-2-3-6-12-9-16-13(15)17(12)11-7-4-5-10(14)8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H2,15,16).
What are the key properties of 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).