3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one

C14H17N3O2 — CID 82726652

IUPAC3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one
SMILESCC1OCCC1Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-13(6-9-19-10)16-11-2-4-12(5-3-11)17-8-7-15-14(17)18/h2-5,7-8,10,13,16H,6,9H2,1H3,(H,15,18)
InChIKeyLTZUSYSQDYSTTG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds3

About 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one

3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one (PubChem CID 82726652) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one
PubChem CID82726652
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one
SMILESCC1OCCC1Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-13(6-9-19-10)16-11-2-4-12(5-3-11)17-8-7-15-14(17)18/h2-5,7-8,10,13,16H,6,9H2,1H3,(H,15,18)
InChIKeyLTZUSYSQDYSTTG-UHFFFAOYSA-N
XLogP1.75
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-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 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one (CID 82726652) is 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one is CC1OCCC1Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one?
The InChIKey is LTZUSYSQDYSTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-13(6-9-19-10)16-11-2-4-12(5-3-11)17-8-7-15-14(17)18/h2-5,7-8,10,13,16H,6,9H2,1H3,(H,15,18).
What are the key properties of 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one?
3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 82726652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).