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

C24H17Cl2N5O2 — CID 43903792

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

1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 43903792) has the molecular formula C24H17Cl2N5O2 and a molecular weight of 478.34 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

• Compound Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
• PubChem CID: 43903792
• Molecular Formula: C24H17Cl2N5O2
• Molecular Weight: 478.34 g/mol
• Exact Mass: 477.08
• IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
• SMILES: O=C1CC(c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C24H17Cl2N5O2/c25-14-10-15(26)12-16(11-14)27-23-22-19(8-13(9-20(22)32)21-6-3-7-33-21)31(30-23)24-28-17-4-1-2-5-18(17)29-24/h1-7,10-13H,8-9H2,(H,27,30)(H,28,29)
• InChIKey: YKSXQHAKRMKPML-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 88.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.34
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 43903792) is 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.

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

The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is O=C1CC(c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1nc2ccccc2[nH]1.

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

The InChIKey is YKSXQHAKRMKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O2/c25-14-10-15(26)12-16(11-14)27-23-22-19(8-13(9-20(22)32)21-6-3-7-33-21)31(30-23)24-28-17-4-1-2-5-18(17)29-24/h1-7,10-13H,8-9H2,(H,27,30)(H,28,29).

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

1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 478.34 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 43903792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).