N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C28H25N3O2 — CID 4032786

About N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 4032786) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 4032786
• Molecular Formula: C28H25N3O2
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C28H25N3O2/c32-27(16-21-17-33-26-15-20-10-6-9-19(20)14-22(21)26)29-25(13-18-7-2-1-3-8-18)28-30-23-11-4-5-12-24(23)31-28/h1-5,7-8,11-12,14-15,17,25H,6,9-10,13,16H2,(H,29,32)(H,30,31)
• InChIKey: UNDSEXBYPIFMPE-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 4032786) is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)NC(Cc1ccccc1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The InChIKey is UNDSEXBYPIFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-27(16-21-17-33-26-15-20-10-6-9-19(20)14-22(21)26)29-25(13-18-7-2-1-3-8-18)28-30-23-11-4-5-12-24(23)31-28/h1-5,7-8,11-12,14-15,17,25H,6,9-10,13,16H2,(H,29,32)(H,30,31).

What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 4032786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).