1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one

C11H13N3O2 — CID 117312138

IUPAC1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(CNO)cc2)c1=O
InChIInChI=1S/C11H13N3O2/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-12-16/h2-7,12,16H,8H2,1H3
InChIKeyFPIVUJIJJGQULV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.65
Rot. Bonds3

About 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one

1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one (PubChem CID 117312138) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one
PubChem CID117312138
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(CNO)cc2)c1=O
InChIInChI=1S/C11H13N3O2/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-12-16/h2-7,12,16H,8H2,1H3
InChIKeyFPIVUJIJJGQULV-UHFFFAOYSA-N
XLogP0.65
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one (CID 117312138) is 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one is Cn1ccn(-c2ccc(CNO)cc2)c1=O.
What is the InChIKey of 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one?
The InChIKey is FPIVUJIJJGQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-12-16/h2-7,12,16H,8H2,1H3.
What are the key properties of 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one?
1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(hydroxyamino)methyl]phenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 117312138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).