3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol

C11H15N3O — CID 79510385

IUPAC3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
SMILESCCN1C(N)=NCC1c1cccc(O)c1
InChIInChI=1S/C11H15N3O/c1-2-14-10(7-13-11(14)12)8-4-3-5-9(15)6-8/h3-6,10,15H,2,7H2,1H3,(H2,12,13)
InChIKeyKIHWFHWXPKCVPO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds2

About 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol

3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol (PubChem CID 79510385) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
PubChem CID79510385
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
SMILESCCN1C(N)=NCC1c1cccc(O)c1
InChIInChI=1S/C11H15N3O/c1-2-14-10(7-13-11(14)12)8-4-3-5-9(15)6-8/h3-6,10,15H,2,7H2,1H3,(H2,12,13)
InChIKeyKIHWFHWXPKCVPO-UHFFFAOYSA-N
XLogP1.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol?
The IUPAC name of 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol (CID 79510385) is 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol.
What is the SMILES notation for 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol?
The canonical SMILES for 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol is CCN1C(N)=NCC1c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol?
The InChIKey is KIHWFHWXPKCVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-14-10(7-13-11(14)12)8-4-3-5-9(15)6-8/h3-6,10,15H,2,7H2,1H3,(H2,12,13).
What are the key properties of 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol?
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol has a molecular weight of 205.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol is sourced from PubChem (CID 79510385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).