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

C14H19N3O2 — CID 79505260

IUPAC4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESNC1=NCC(c2ccc(O)cc2)N1CC1CCCO1
InChIInChI=1S/C14H19N3O2/c15-14-16-8-13(10-3-5-11(18)6-4-10)17(14)9-12-2-1-7-19-12/h3-6,12-13,18H,1-2,7-9H2,(H2,15,16)
InChIKeyFUANQWKRGOFJCC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds3

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

4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol (PubChem CID 79505260) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol
PubChem CID79505260
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESNC1=NCC(c2ccc(O)cc2)N1CC1CCCO1
InChIInChI=1S/C14H19N3O2/c15-14-16-8-13(10-3-5-11(18)6-4-10)17(14)9-12-2-1-7-19-12/h3-6,12-13,18H,1-2,7-9H2,(H2,15,16)
InChIKeyFUANQWKRGOFJCC-UHFFFAOYSA-N
XLogP1.24
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
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]phenol?
The IUPAC name of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol (CID 79505260) is 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol?
The canonical SMILES for 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol is NC1=NCC(c2ccc(O)cc2)N1CC1CCCO1.
What is the InChIKey of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol?
The InChIKey is FUANQWKRGOFJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14-16-8-13(10-3-5-11(18)6-4-10)17(14)9-12-2-1-7-19-12/h3-6,12-13,18H,1-2,7-9H2,(H2,15,16).
What are the key properties of 4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol?
4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol has a molecular weight of 261.32 g/mol, XLogP of 1.24, 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]phenol is sourced from PubChem (CID 79505260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).