2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride

C14H20ClN3O — CID 162673768

IUPAC2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride
SMILESCCCCCn1cc(-c2ccccc2O)nc1N.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-3-6-9-17-10-12(16-14(17)15)11-7-4-5-8-13(11)18;/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H2,15,16);1H
InChIKeyHEWGGWOAZRBKRS-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride

2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride (PubChem CID 162673768) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride
PubChem CID162673768
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride
SMILESCCCCCn1cc(-c2ccccc2O)nc1N.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-3-6-9-17-10-12(16-14(17)15)11-7-4-5-8-13(11)18;/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H2,15,16);1H
InChIKeyHEWGGWOAZRBKRS-UHFFFAOYSA-N
XLogP3.45
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride?
The IUPAC name of 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride (CID 162673768) is 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride?
The canonical SMILES for 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride is CCCCCn1cc(-c2ccccc2O)nc1N.Cl.
What is the InChIKey of 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride?
The InChIKey is HEWGGWOAZRBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-2-3-6-9-17-10-12(16-14(17)15)11-7-4-5-8-13(11)18;/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H2,15,16);1H.
What are the key properties of 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride?
2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-pentylimidazol-4-yl)phenol;hydrochloride is sourced from PubChem (CID 162673768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).