3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C29H27N7O2 — CID 51360342

About 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360342) has the molecular formula C29H27N7O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 51360342
• Molecular Formula: C29H27N7O2
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.22
• IUPAC Name: 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: O=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2Cc2ccccc2)CC1
• InChI: InChI=1S/C29H27N7O2/c37-29-30-23-11-5-6-12-24(23)36(29)22-14-16-34(17-15-22)27(26-18-21-10-4-7-13-25(21)38-26)28-31-32-33-35(28)19-20-8-2-1-3-9-20/h1-13,18,22,27H,14-17,19H2,(H,30,37)
• InChIKey: ZZCLLFFQXHFZQJ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 97.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360342) is 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2Cc2ccccc2)CC1.

What is the InChIKey of 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is ZZCLLFFQXHFZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O2/c37-29-30-23-11-5-6-12-24(23)36(29)22-14-16-34(17-15-22)27(26-18-21-10-4-7-13-25(21)38-26)28-31-32-33-35(28)19-20-8-2-1-3-9-20/h1-13,18,22,27H,14-17,19H2,(H,30,37).

What are the key properties of 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 505.58 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).