1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea

C16H16N2O2 — CID 2742252

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea
SMILESO=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(18-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-20-15/h1-7,10H,8-9,11H2,(H2,17,18,19)
InChIKeyWSWLJHBSERHTGL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea (PubChem CID 2742252) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea
PubChem CID2742252
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea
SMILESO=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(18-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-20-15/h1-7,10H,8-9,11H2,(H2,17,18,19)
InChIKeyWSWLJHBSERHTGL-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea 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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea (CID 2742252) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea is O=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea?
The InChIKey is WSWLJHBSERHTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(18-14-4-2-1-3-5-14)17-11-12-6-7-15-13(10-12)8-9-20-15/h1-7,10H,8-9,11H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenylurea is sourced from PubChem (CID 2742252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).