3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

C27H24N8O — CID 21479122

About 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 21479122) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
• PubChem CID: 21479122
• Molecular Formula: C27H24N8O
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.21
• IUPAC Name: 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
• SMILES: CCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C27H24N8O/c1-2-25-28-23-12-11-19(22-13-14-26(36)30-29-22)15-24(23)35(25)16-17-7-9-18(10-8-17)20-5-3-4-6-21(20)27-31-33-34-32-27/h3-12,15H,2,13-14,16H2,1H3,(H,30,36)(H,31,32,33,34)
• InChIKey: PWYLVCYXFNCWEW-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 113.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?

The IUPAC name of 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 21479122) is 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.

What is the SMILES notation for 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?

The canonical SMILES for 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is CCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?

The InChIKey is PWYLVCYXFNCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-2-25-28-23-12-11-19(22-13-14-26(36)30-29-22)15-24(23)35(25)16-17-7-9-18(10-8-17)20-5-3-4-6-21(20)27-31-33-34-32-27/h3-12,15H,2,13-14,16H2,1H3,(H,30,36)(H,31,32,33,34).

What are the key properties of 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?

3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 476.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 21479122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).