4-[5-(2-aminoethyl)imidazol-1-yl]phenol

C11H13N3O — CID 84671540

IUPAC4-[5-(2-aminoethyl)imidazol-1-yl]phenol
SMILESNCCc1cncn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c12-6-5-10-7-13-8-14(10)9-1-3-11(15)4-2-9/h1-4,7-8,15H,5-6,12H2
InChIKeyGJXVQEHRAJPMMO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.08
Rot. Bonds3

About 4-[5-(2-aminoethyl)imidazol-1-yl]phenol

4-[5-(2-aminoethyl)imidazol-1-yl]phenol (PubChem CID 84671540) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)imidazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)imidazol-1-yl]phenol
PubChem CID84671540
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[5-(2-aminoethyl)imidazol-1-yl]phenol
SMILESNCCc1cncn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c12-6-5-10-7-13-8-14(10)9-1-3-11(15)4-2-9/h1-4,7-8,15H,5-6,12H2
InChIKeyGJXVQEHRAJPMMO-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)imidazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-aminoethyl)imidazol-1-yl]phenol (CID 84671540) is 4-[5-(2-aminoethyl)imidazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-aminoethyl)imidazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-aminoethyl)imidazol-1-yl]phenol is NCCc1cncn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-aminoethyl)imidazol-1-yl]phenol?
The InChIKey is GJXVQEHRAJPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-5-10-7-13-8-14(10)9-1-3-11(15)4-2-9/h1-4,7-8,15H,5-6,12H2.
What are the key properties of 4-[5-(2-aminoethyl)imidazol-1-yl]phenol?
4-[5-(2-aminoethyl)imidazol-1-yl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)imidazol-1-yl]phenol is sourced from PubChem (CID 84671540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).