2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol

C11H13N3O2 — CID 139182795

IUPAC2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol
SMILESCO.Oc1ccccc1/N=C/c1ncc[nH]1
InChIInChI=1S/C10H9N3O.CH4O/c14-9-4-2-1-3-8(9)13-7-10-11-5-6-12-10;1-2/h1-7,14H,(H,11,12);2H,1H3/b13-7+;
InChIKeyTVCKSZRIWVSTPT-FTPOTTDRSA-N
MW219.24 g/mol
LogP1.47
Rot. Bonds2

About 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol

2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol (PubChem CID 139182795) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol
PubChem CID139182795
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol
SMILESCO.Oc1ccccc1/N=C/c1ncc[nH]1
InChIInChI=1S/C10H9N3O.CH4O/c14-9-4-2-1-3-8(9)13-7-10-11-5-6-12-10;1-2/h1-7,14H,(H,11,12);2H,1H3/b13-7+;
InChIKeyTVCKSZRIWVSTPT-FTPOTTDRSA-N
XLogP1.47
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol?
The IUPAC name of 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol (CID 139182795) is 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol is CO.Oc1ccccc1/N=C/c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol?
The InChIKey is TVCKSZRIWVSTPT-FTPOTTDRSA-N. The full InChI is InChI=1S/C10H9N3O.CH4O/c14-9-4-2-1-3-8(9)13-7-10-11-5-6-12-10;1-2/h1-7,14H,(H,11,12);2H,1H3/b13-7+;.
What are the key properties of 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol?
2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol has a molecular weight of 219.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol is sourced from PubChem (CID 139182795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).