4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol

C14H18FN3O2 — CID 107693868

IUPAC4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol
SMILESNC1=NCC(c2ccc(O)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H18FN3O2/c15-11-6-9(3-4-13(11)19)12-7-17-14(16)18(12)8-10-2-1-5-20-10/h3-4,6,10,12,19H,1-2,5,7-8H2,(H2,16,17)
InChIKeyQCFXGAUGOZLGJK-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.38
Rot. Bonds3

About 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol

4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol (PubChem CID 107693868) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol
PubChem CID107693868
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol
SMILESNC1=NCC(c2ccc(O)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H18FN3O2/c15-11-6-9(3-4-13(11)19)12-7-17-14(16)18(12)8-10-2-1-5-20-10/h3-4,6,10,12,19H,1-2,5,7-8H2,(H2,16,17)
InChIKeyQCFXGAUGOZLGJK-UHFFFAOYSA-N
XLogP1.38
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol?
The IUPAC name of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol (CID 107693868) is 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol.
What is the SMILES notation for 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol?
The canonical SMILES for 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol is NC1=NCC(c2ccc(O)c(F)c2)N1CC1CCCO1.
What is the InChIKey of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol?
The InChIKey is QCFXGAUGOZLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-6-9(3-4-13(11)19)12-7-17-14(16)18(12)8-10-2-1-5-20-10/h3-4,6,10,12,19H,1-2,5,7-8H2,(H2,16,17).
What are the key properties of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol?
4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol has a molecular weight of 279.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]-2-fluorophenol is sourced from PubChem (CID 107693868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).