4,5-dihydro-1H-imidazol-2-yl benzoate

C10H10N2O2 — CID 19981110

IUPAC4,5-dihydro-1H-imidazol-2-yl benzoate
SMILESO=C(OC1=NCCN1)c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-9(8-4-2-1-3-5-8)14-10-11-6-7-12-10/h1-5H,6-7H2,(H,11,12)
InChIKeyXUAJTTGSFAPFEW-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.80
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-2-yl benzoate

4,5-dihydro-1H-imidazol-2-yl benzoate (PubChem CID 19981110) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl benzoate.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl benzoate
PubChem CID19981110
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4,5-dihydro-1H-imidazol-2-yl benzoate
SMILESO=C(OC1=NCCN1)c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-9(8-4-2-1-3-5-8)14-10-11-6-7-12-10/h1-5H,6-7H2,(H,11,12)
InChIKeyXUAJTTGSFAPFEW-UHFFFAOYSA-N
XLogP0.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dihydro-1H-imidazol-2-yl benzoate 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 4,5-dihydro-1H-imidazol-2-yl benzoate?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl benzoate (CID 19981110) is 4,5-dihydro-1H-imidazol-2-yl benzoate.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl benzoate?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl benzoate is O=C(OC1=NCCN1)c1ccccc1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl benzoate?
The InChIKey is XUAJTTGSFAPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9(8-4-2-1-3-5-8)14-10-11-6-7-12-10/h1-5H,6-7H2,(H,11,12).
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl benzoate?
4,5-dihydro-1H-imidazol-2-yl benzoate has a molecular weight of 190.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl benzoate is sourced from PubChem (CID 19981110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).