1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one

C23H23N5O — CID 43903769

About 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one

1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 43903769) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

• Compound Name: 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
• PubChem CID: 43903769
• Molecular Formula: C23H23N5O
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.19
• IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
• SMILES: CCc1ccccc1Nc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)CC(C)C2
• InChI: InChI=1S/C23H23N5O/c1-3-15-8-4-5-9-16(15)24-22-21-19(12-14(2)13-20(21)29)28(27-22)23-25-17-10-6-7-11-18(17)26-23/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)(H,25,26)
• InChIKey: RIAOAJLFSBPZCG-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?

The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 43903769) is 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one.

What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?

The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one is CCc1ccccc1Nc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)CC(C)C2.

What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?

The InChIKey is RIAOAJLFSBPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-15-8-4-5-9-16(15)24-22-21-19(12-14(2)13-20(21)29)28(27-22)23-25-17-10-6-7-11-18(17)26-23/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)(H,25,26).

What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?

1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 385.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 43903769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).