5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C15H20FN3O2 — CID 79500198

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2CC2CCCO2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-20-14-5-4-10(7-12(14)16)13-8-18-15(17)19(13)9-11-3-2-6-21-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H2,17,18)
InChIKeyHEIGZLHDCTVLGE-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.68
Rot. Bonds4

About 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79500198) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79500198
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2CC2CCCO2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-20-14-5-4-10(7-12(14)16)13-8-18-15(17)19(13)9-11-3-2-6-21-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H2,17,18)
InChIKeyHEIGZLHDCTVLGE-UHFFFAOYSA-N
XLogP1.68
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79500198) is 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is COc1ccc(C2CN=C(N)N2CC2CCCO2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HEIGZLHDCTVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-20-14-5-4-10(7-12(14)16)13-8-18-15(17)19(13)9-11-3-2-6-21-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H2,17,18).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 293.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79500198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).