1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine

C15H22FN3 — CID 79514797

IUPAC1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1c1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-3-8-15(9-4-2)11-18-14(17)19(15)13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyWKJARMKEGYJJRU-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine

1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine (PubChem CID 79514797) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine
PubChem CID79514797
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine
SMILESCCCC1(CCC)CN=C(N)N1c1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-3-8-15(9-4-2)11-18-14(17)19(15)13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyWKJARMKEGYJJRU-UHFFFAOYSA-N
XLogP3.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine (CID 79514797) is 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine is CCCC1(CCC)CN=C(N)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine?
The InChIKey is WKJARMKEGYJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-8-15(9-4-2)11-18-14(17)19(15)13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine?
1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine has a molecular weight of 263.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine is sourced from PubChem (CID 79514797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).