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

C14H19N3O — CID 162673769

IUPAC2-(2-amino-1-pentylimidazol-4-yl)phenol
SMILESCCCCCn1cc(-c2ccccc2O)nc1N
InChIInChI=1S/C14H19N3O/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)
InChIKeySGGPQODEBLSLKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.03
Rot. Bonds5

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

2-(2-amino-1-pentylimidazol-4-yl)phenol (PubChem CID 162673769) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-amino-1-pentylimidazol-4-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-pentylimidazol-4-yl)phenol
PubChem CID162673769
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-amino-1-pentylimidazol-4-yl)phenol
SMILESCCCCCn1cc(-c2ccccc2O)nc1N
InChIInChI=1S/C14H19N3O/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)
InChIKeySGGPQODEBLSLKH-UHFFFAOYSA-N
XLogP3.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.03
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?
The IUPAC name of 2-(2-amino-1-pentylimidazol-4-yl)phenol (CID 162673769) is 2-(2-amino-1-pentylimidazol-4-yl)phenol.
What is the SMILES notation for 2-(2-amino-1-pentylimidazol-4-yl)phenol?
The canonical SMILES for 2-(2-amino-1-pentylimidazol-4-yl)phenol is CCCCCn1cc(-c2ccccc2O)nc1N.
What is the InChIKey of 2-(2-amino-1-pentylimidazol-4-yl)phenol?
The InChIKey is SGGPQODEBLSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/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).
What are the key properties of 2-(2-amino-1-pentylimidazol-4-yl)phenol?
2-(2-amino-1-pentylimidazol-4-yl)phenol has a molecular weight of 245.33 g/mol, XLogP of 3.03, 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 is sourced from PubChem (CID 162673769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).