N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C30H29N5O3 — CID 29264581

About N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 29264581) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 29264581
• Molecular Formula: C30H29N5O3
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.23
• IUPAC Name: N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1
• InChI: InChI=1S/C30H29N5O3/c1-3-19-8-10-21(11-9-19)32-28(36)17-27-29(37)34(30-33-25-6-4-5-7-26(25)35(27)30)15-14-20-18-31-24-13-12-22(38-2)16-23(20)24/h4-13,16,18,27,31H,3,14-15,17H2,1-2H3,(H,32,36)/t27-/m1/s1
• InChIKey: ITDQIQARIGIXKP-HHHXNRCGSA-N
• XLogP: 5.25
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 29264581) is N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1.

What is the InChIKey of N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is ITDQIQARIGIXKP-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-3-19-8-10-21(11-9-19)32-28(36)17-27-29(37)34(30-33-25-6-4-5-7-26(25)35(27)30)15-14-20-18-31-24-13-12-22(38-2)16-23(20)24/h4-13,16,18,27,31H,3,14-15,17H2,1-2H3,(H,32,36)/t27-/m1/s1.

What are the key properties of N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 507.59 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 29264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).