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

C12H15N3O — CID 114704497

IUPAC4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
SMILESNCc1cncn1CCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c13-7-11-8-14-9-15(11)6-5-10-1-3-12(16)4-2-10/h1-4,8-9,16H,5-7,13H2
InChIKeyLHVBMEZTQXFAND-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.29
Rot. Bonds4

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

4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol (PubChem CID 114704497) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
PubChem CID114704497
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
SMILESNCc1cncn1CCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c13-7-11-8-14-9-15(11)6-5-10-1-3-12(16)4-2-10/h1-4,8-9,16H,5-7,13H2
InChIKeyLHVBMEZTQXFAND-UHFFFAOYSA-N
XLogP1.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol (CID 114704497) is 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol is NCc1cncn1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol?
The InChIKey is LHVBMEZTQXFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-11-8-14-9-15(11)6-5-10-1-3-12(16)4-2-10/h1-4,8-9,16H,5-7,13H2.
What are the key properties of 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol?
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol is sourced from PubChem (CID 114704497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).