2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one

C23H22N6O2 — CID 58153855

About 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one

2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one (PubChem CID 58153855) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one.

Molecular Properties

• Compound Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one
• PubChem CID: 58153855
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one
• SMILES: CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCC2
• InChI: InChI=1S/C23H22N6O2/c1-2-31-23-24-19-8-5-9-20(30)21(19)29(23)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-25-27-28-26-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,25,26,27,28)
• InChIKey: RVSAVHHDGQFCFQ-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one?

The IUPAC name of 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one (CID 58153855) is 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one.

What is the SMILES notation for 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one?

The canonical SMILES for 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one is CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCC2.

What is the InChIKey of 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one?

The InChIKey is RVSAVHHDGQFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-2-31-23-24-19-8-5-9-20(30)21(19)29(23)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-25-27-28-26-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,25,26,27,28).

What are the key properties of 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one?

2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one has a molecular weight of 414.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one is sourced from PubChem (CID 58153855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).