N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C27H21N5O2 — CID 28630904

About N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 28630904) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 28630904
• Molecular Formula: C27H21N5O2
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.17
• IUPAC Name: N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc2ccccc12
• InChI: InChI=1S/C27H21N5O2/c33-25(29-21-13-7-9-18-8-1-2-11-20(18)21)16-24-26(34)31(17-19-10-5-6-15-28-19)27-30-22-12-3-4-14-23(22)32(24)27/h1-15,24H,16-17H2,(H,29,33)/t24-/m0/s1
• InChIKey: ZJXYRKMRZLPDIC-DEOSSOPVSA-N
• XLogP: 4.70
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 28630904) is N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc2ccccc12.

What is the InChIKey of N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is ZJXYRKMRZLPDIC-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H21N5O2/c33-25(29-21-13-7-9-18-8-1-2-11-20(18)21)16-24-26(34)31(17-19-10-5-6-15-28-19)27-30-22-12-3-4-14-23(22)32(24)27/h1-15,24H,16-17H2,(H,29,33)/t24-/m0/s1.

What are the key properties of N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 28630904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).