(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

C22H23N3O — CID 113201061

About (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (PubChem CID 113201061) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.

Molecular Properties

• Compound Name: (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
• PubChem CID: 113201061
• Molecular Formula: C22H23N3O
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.18
• IUPAC Name: (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
• SMILES: Cc1ccc2nc3c(n2c1)CC(C(=O)N1c2ccccc2CC1C)CC3
• InChI: InChI=1S/C22H23N3O/c1-14-7-10-21-23-18-9-8-17(12-20(18)24(21)13-14)22(26)25-15(2)11-16-5-3-4-6-19(16)25/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3
• InChIKey: IPRYGVRHRLGTOL-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?

The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (CID 113201061) is (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.

What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?

The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is Cc1ccc2nc3c(n2c1)CC(C(=O)N1c2ccccc2CC1C)CC3.

What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?

The InChIKey is IPRYGVRHRLGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-7-10-21-23-18-9-8-17(12-20(18)24(21)13-14)22(26)25-15(2)11-16-5-3-4-6-19(16)25/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3.

What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is sourced from PubChem (CID 113201061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).