2-[(1H-imidazol-2-ylmethylamino)methyl]phenol

C11H13N3O — CID 63001095

IUPAC2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1ncc[nH]1
InChIInChI=1S/C11H13N3O/c15-10-4-2-1-3-9(10)7-12-8-11-13-5-6-14-11/h1-6,12,15H,7-8H2,(H,13,14)
InChIKeyCVEIAPQOHZKWAM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.41
Rot. Bonds4

About 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol

2-[(1H-imidazol-2-ylmethylamino)methyl]phenol (PubChem CID 63001095) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
PubChem CID63001095
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1ncc[nH]1
InChIInChI=1S/C11H13N3O/c15-10-4-2-1-3-9(10)7-12-8-11-13-5-6-14-11/h1-6,12,15H,7-8H2,(H,13,14)
InChIKeyCVEIAPQOHZKWAM-UHFFFAOYSA-N
XLogP1.41
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol (CID 63001095) is 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol is Oc1ccccc1CNCc1ncc[nH]1.
What is the InChIKey of 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol?
The InChIKey is CVEIAPQOHZKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-10-4-2-1-3-9(10)7-12-8-11-13-5-6-14-11/h1-6,12,15H,7-8H2,(H,13,14).
What are the key properties of 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol?
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-imidazol-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 63001095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).