2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

C25H33N3O — CID 16969327

About 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16969327) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
• PubChem CID: 16969327
• Molecular Formula: C25H33N3O
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.26
• IUPAC Name: 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
• SMILES: Cc1cc(C)c(C)c(Cn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c1C
• InChI: InChI=1S/C25H33N3O/c1-15-13-16(2)18(4)20(17(15)3)14-28-22-12-10-9-11-21(22)27-23(28)19(5)26-24(29)25(6,7)8/h9-13,19H,14H2,1-8H3,(H,26,29)
• InChIKey: MMLLVZUGABNDHI-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (CID 16969327) is 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is Cc1cc(C)c(C)c(Cn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c1C.

What is the InChIKey of 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?

The InChIKey is MMLLVZUGABNDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-15-13-16(2)18(4)20(17(15)3)14-28-22-12-10-9-11-21(22)27-23(28)19(5)26-24(29)25(6,7)8/h9-13,19H,14H2,1-8H3,(H,26,29).

What are the key properties of 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?

2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 391.56 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16969327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).