5-(aminomethyl)-2-imidazol-1-ylphenol

C10H11N3O — CID 84662023

IUPAC5-(aminomethyl)-2-imidazol-1-ylphenol
SMILESNCc1ccc(-n2ccnc2)c(O)c1
InChIInChI=1S/C10H11N3O/c11-6-8-1-2-9(10(14)5-8)13-4-3-12-7-13/h1-5,7,14H,6,11H2
InChIKeyKOONRKQODRIKIH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.04
Rot. Bonds2

About 5-(aminomethyl)-2-imidazol-1-ylphenol

5-(aminomethyl)-2-imidazol-1-ylphenol (PubChem CID 84662023) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-imidazol-1-ylphenol.

Molecular Properties

Compound Name5-(aminomethyl)-2-imidazol-1-ylphenol
PubChem CID84662023
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(aminomethyl)-2-imidazol-1-ylphenol
SMILESNCc1ccc(-n2ccnc2)c(O)c1
InChIInChI=1S/C10H11N3O/c11-6-8-1-2-9(10(14)5-8)13-4-3-12-7-13/h1-5,7,14H,6,11H2
InChIKeyKOONRKQODRIKIH-UHFFFAOYSA-N
XLogP1.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-imidazol-1-ylphenol?
The IUPAC name of 5-(aminomethyl)-2-imidazol-1-ylphenol (CID 84662023) is 5-(aminomethyl)-2-imidazol-1-ylphenol.
What is the SMILES notation for 5-(aminomethyl)-2-imidazol-1-ylphenol?
The canonical SMILES for 5-(aminomethyl)-2-imidazol-1-ylphenol is NCc1ccc(-n2ccnc2)c(O)c1.
What is the InChIKey of 5-(aminomethyl)-2-imidazol-1-ylphenol?
The InChIKey is KOONRKQODRIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-8-1-2-9(10(14)5-8)13-4-3-12-7-13/h1-5,7,14H,6,11H2.
What are the key properties of 5-(aminomethyl)-2-imidazol-1-ylphenol?
5-(aminomethyl)-2-imidazol-1-ylphenol has a molecular weight of 189.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-imidazol-1-ylphenol is sourced from PubChem (CID 84662023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).