N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide

C24H25N3O2 — CID 138470445

About N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide

N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide (PubChem CID 138470445) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide.

Molecular Properties

• Compound Name: N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide
• PubChem CID: 138470445
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide
• SMILES: CCOc1cccc(C(=O)NC2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1
• InChI: InChI=1S/C24H25N3O2/c1-2-29-19-6-3-5-18(13-19)24(28)26-21-11-10-16-8-9-17(14-20(16)21)22-15-27-12-4-7-23(27)25-22/h3,5-6,8-9,13-15,21H,2,4,7,10-12H2,1H3,(H,26,28)
• InChIKey: UFFWQQMDJDHECY-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide?

The IUPAC name of N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide (CID 138470445) is N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide.

What is the SMILES notation for N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide?

The canonical SMILES for N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NC2CCc3ccc(-c4cn5c(n4)CCC5)cc32)c1.

What is the InChIKey of N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide?

The InChIKey is UFFWQQMDJDHECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-29-19-6-3-5-18(13-19)24(28)26-21-11-10-16-8-9-17(14-20(16)21)22-15-27-12-4-7-23(27)25-22/h3,5-6,8-9,13-15,21H,2,4,7,10-12H2,1H3,(H,26,28).

What are the key properties of N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide?

N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide has a molecular weight of 387.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-ethoxybenzamide is sourced from PubChem (CID 138470445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).