2-(2-methyl-4-nitroimidazol-1-yl)phenol

C10H9N3O3 — CID 131421840

IUPAC2-(2-methyl-4-nitroimidazol-1-yl)phenol
SMILESCc1nc([N+](=O)[O-])cn1-c1ccccc1O
InChIInChI=1S/C10H9N3O3/c1-7-11-10(13(15)16)6-12(7)8-4-2-3-5-9(8)14/h2-6,14H,1H3
InChIKeyNRMLIYOSPIJKIZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.79
Rot. Bonds2

About 2-(2-methyl-4-nitroimidazol-1-yl)phenol

2-(2-methyl-4-nitroimidazol-1-yl)phenol (PubChem CID 131421840) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(2-methyl-4-nitroimidazol-1-yl)phenol.

Molecular Properties

Compound Name2-(2-methyl-4-nitroimidazol-1-yl)phenol
PubChem CID131421840
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-(2-methyl-4-nitroimidazol-1-yl)phenol
SMILESCc1nc([N+](=O)[O-])cn1-c1ccccc1O
InChIInChI=1S/C10H9N3O3/c1-7-11-10(13(15)16)6-12(7)8-4-2-3-5-9(8)14/h2-6,14H,1H3
InChIKeyNRMLIYOSPIJKIZ-UHFFFAOYSA-N
XLogP1.79
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)phenol?
The IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)phenol (CID 131421840) is 2-(2-methyl-4-nitroimidazol-1-yl)phenol.
What is the SMILES notation for 2-(2-methyl-4-nitroimidazol-1-yl)phenol?
The canonical SMILES for 2-(2-methyl-4-nitroimidazol-1-yl)phenol is Cc1nc([N+](=O)[O-])cn1-c1ccccc1O.
What is the InChIKey of 2-(2-methyl-4-nitroimidazol-1-yl)phenol?
The InChIKey is NRMLIYOSPIJKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-7-11-10(13(15)16)6-12(7)8-4-2-3-5-9(8)14/h2-6,14H,1H3.
What are the key properties of 2-(2-methyl-4-nitroimidazol-1-yl)phenol?
2-(2-methyl-4-nitroimidazol-1-yl)phenol has a molecular weight of 219.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitroimidazol-1-yl)phenol is sourced from PubChem (CID 131421840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).