1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C19H22N4O2 — CID 53499736

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 53499736) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
• PubChem CID: 53499736
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
• SMILES: O=C(NCC1Cc2ccccc2O1)Nc1ccc(N2CCCC2)nc1
• InChI: InChI=1S/C19H22N4O2/c24-19(21-13-16-11-14-5-1-2-6-17(14)25-16)22-15-7-8-18(20-12-15)23-9-3-4-10-23/h1-2,5-8,12,16H,3-4,9-11,13H2,(H2,21,22,24)
• InChIKey: XDWQBSQXRXGWSW-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?

The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 53499736) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?

The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(NCC1Cc2ccccc2O1)Nc1ccc(N2CCCC2)nc1.

What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?

The InChIKey is XDWQBSQXRXGWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(21-13-16-11-14-5-1-2-6-17(14)25-16)22-15-7-8-18(20-12-15)23-9-3-4-10-23/h1-2,5-8,12,16H,3-4,9-11,13H2,(H2,21,22,24).

What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 53499736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).