[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone

C28H29N3O4 — CID 146791096

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone (PubChem CID 146791096) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone
• PubChem CID: 146791096
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone
• SMILES: COc1ccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2OC)cc1
• InChI: InChI=1S/C28H29N3O4/c1-33-22-10-7-19(8-11-22)18-35-25-12-9-21(17-26(25)34-2)28(32)31-15-13-20(14-16-31)27-29-23-5-3-4-6-24(23)30-27/h3-12,17,20H,13-16,18H2,1-2H3,(H,29,30)
• InChIKey: RVVIRMXTGQGHEL-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 76.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone (CID 146791096) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone is COc1ccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2OC)cc1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone?

The InChIKey is RVVIRMXTGQGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-33-22-10-7-19(8-11-22)18-35-25-12-9-21(17-26(25)34-2)28(32)31-15-13-20(14-16-31)27-29-23-5-3-4-6-24(23)30-27/h3-12,17,20H,13-16,18H2,1-2H3,(H,29,30).

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone has a molecular weight of 471.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 146791096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).