4-(5-amino-1-methylimidazol-2-yl)oxyphenol

C10H11N3O2 — CID 117190503

IUPAC4-(5-amino-1-methylimidazol-2-yl)oxyphenol
SMILESCn1c(N)cnc1Oc1ccc(O)cc1
InChIInChI=1S/C10H11N3O2/c1-13-9(11)6-12-10(13)15-8-4-2-7(14)3-5-8/h2-6,14H,11H2,1H3
InChIKeyKPTRDVNJCVFMKH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.50
Rot. Bonds2

About 4-(5-amino-1-methylimidazol-2-yl)oxyphenol

4-(5-amino-1-methylimidazol-2-yl)oxyphenol (PubChem CID 117190503) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(5-amino-1-methylimidazol-2-yl)oxyphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylimidazol-2-yl)oxyphenol
PubChem CID117190503
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(5-amino-1-methylimidazol-2-yl)oxyphenol
SMILESCn1c(N)cnc1Oc1ccc(O)cc1
InChIInChI=1S/C10H11N3O2/c1-13-9(11)6-12-10(13)15-8-4-2-7(14)3-5-8/h2-6,14H,11H2,1H3
InChIKeyKPTRDVNJCVFMKH-UHFFFAOYSA-N
XLogP1.50
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylimidazol-2-yl)oxyphenol?
The IUPAC name of 4-(5-amino-1-methylimidazol-2-yl)oxyphenol (CID 117190503) is 4-(5-amino-1-methylimidazol-2-yl)oxyphenol.
What is the SMILES notation for 4-(5-amino-1-methylimidazol-2-yl)oxyphenol?
The canonical SMILES for 4-(5-amino-1-methylimidazol-2-yl)oxyphenol is Cn1c(N)cnc1Oc1ccc(O)cc1.
What is the InChIKey of 4-(5-amino-1-methylimidazol-2-yl)oxyphenol?
The InChIKey is KPTRDVNJCVFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-9(11)6-12-10(13)15-8-4-2-7(14)3-5-8/h2-6,14H,11H2,1H3.
What are the key properties of 4-(5-amino-1-methylimidazol-2-yl)oxyphenol?
4-(5-amino-1-methylimidazol-2-yl)oxyphenol has a molecular weight of 205.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylimidazol-2-yl)oxyphenol is sourced from PubChem (CID 117190503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).