3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide

C23H27N3O2 — CID 46977733

About 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide

3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide (PubChem CID 46977733) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide
• PubChem CID: 46977733
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide
• SMILES: Cc1cc2ncn(CCC(=O)N(C)Cc3ccc4c(c3)CC(C)O4)c2cc1C
• InChI: InChI=1S/C23H27N3O2/c1-15-9-20-21(10-16(15)2)26(14-24-20)8-7-23(27)25(4)13-18-5-6-22-19(12-18)11-17(3)28-22/h5-6,9-10,12,14,17H,7-8,11,13H2,1-4H3
• InChIKey: SMWXLNVZHCOFIV-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide?

The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide (CID 46977733) is 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide.

What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide?

The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide is Cc1cc2ncn(CCC(=O)N(C)Cc3ccc4c(c3)CC(C)O4)c2cc1C.

What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide?

The InChIKey is SMWXLNVZHCOFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-9-20-21(10-16(15)2)26(14-24-20)8-7-23(27)25(4)13-18-5-6-22-19(12-18)11-17(3)28-22/h5-6,9-10,12,14,17H,7-8,11,13H2,1-4H3.

What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide?

3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide is sourced from PubChem (CID 46977733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).