1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea

C24H25N3O2 — CID 124864179

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea (PubChem CID 124864179) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
• PubChem CID: 124864179
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
• SMILES: O=C(NCCc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccn1)c1ccccc1
• InChI: InChI=1S/C24H25N3O2/c28-24(26-14-11-18-9-10-23-20(16-18)12-15-29-23)27-22(19-6-2-1-3-7-19)17-21-8-4-5-13-25-21/h1-10,13,16,22H,11-12,14-15,17H2,(H2,26,27,28)/t22-/m0/s1
• InChIKey: WWLOHFBWZHAUPC-QFIPXVFZSA-N
• XLogP: 3.84
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?

The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea (CID 124864179) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea.

What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?

The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea is O=C(NCCc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccn1)c1ccccc1.

What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?

The InChIKey is WWLOHFBWZHAUPC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(26-14-11-18-9-10-23-20(16-18)12-15-29-23)27-22(19-6-2-1-3-7-19)17-21-8-4-5-13-25-21/h1-10,13,16,22H,11-12,14-15,17H2,(H2,26,27,28)/t22-/m0/s1.

What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea has a molecular weight of 387.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea is sourced from PubChem (CID 124864179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).