N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C27H28N4O2 — CID 17029754

About N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 17029754) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• PubChem CID: 17029754
• Molecular Formula: C27H28N4O2
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.22
• IUPAC Name: N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cccc(C)c2C)c1
• InChI: InChI=1S/C27H28N4O2/c1-17-9-7-11-21(15-17)27(33)28-20(4)26-30-23-12-5-6-14-24(23)31(26)16-25(32)29-22-13-8-10-18(2)19(22)3/h5-15,20H,16H2,1-4H3,(H,28,33)(H,29,32)
• InChIKey: GVSOPTUSDSSCLW-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The IUPAC name of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 17029754) is N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

What is the SMILES notation for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The canonical SMILES for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cccc(C)c2C)c1.

What is the InChIKey of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The InChIKey is GVSOPTUSDSSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-17-9-7-11-21(15-17)27(33)28-20(4)26-30-23-12-5-6-14-24(23)31(26)16-25(32)29-22-13-8-10-18(2)19(22)3/h5-15,20H,16H2,1-4H3,(H,28,33)(H,29,32).

What are the key properties of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 17029754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).