2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C23H24N4O2 — CID 72880381

About 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72880381) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 72880381
• Molecular Formula: C23H24N4O2
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.19
• IUPAC Name: 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)CCO2)N1CCC(c2nccn2Cc2cccnc2)CC1
• InChI: InChI=1S/C23H24N4O2/c28-23(20-3-4-21-19(14-20)7-13-29-21)26-10-5-18(6-11-26)22-25-9-12-27(22)16-17-2-1-8-24-15-17/h1-4,8-9,12,14-15,18H,5-7,10-11,13,16H2
• InChIKey: JDXKDPCTDDDLRR-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72880381) is 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc2c(c1)CCO2)N1CCC(c2nccn2Cc2cccnc2)CC1.

What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is JDXKDPCTDDDLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(20-3-4-21-19(14-20)7-13-29-21)26-10-5-18(6-11-26)22-25-9-12-27(22)16-17-2-1-8-24-15-17/h1-4,8-9,12,14-15,18H,5-7,10-11,13,16H2.

What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-5-yl-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72880381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).