methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate

C52H50N8O6 — CID 123792187

About methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate

methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (PubChem CID 123792187) has the molecular formula C52H50N8O6 and a molecular weight of 883.02 g/mol. Its IUPAC name is methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
• PubChem CID: 123792187
• Molecular Formula: C52H50N8O6
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.39
• IUPAC Name: methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(-c3ccc4ccc(-c5ccc6nc(C7CCCN7C(O)C(NC(=O)OC)c7ccccc7)[nH]c6c5)cc4c3)cc2[nH]1)c1ccccc1
• InChI: InChI=1S/C52H50N8O6/c1-65-51(63)57-45(32-11-5-3-6-12-32)49(61)59-25-9-15-43(59)47-53-39-23-21-36(29-41(39)55-47)34-19-17-31-18-20-35(28-38(31)27-34)37-22-24-40-42(30-37)56-48(54-40)44-16-10-26-60(44)50(62)46(58-52(64)66-2)33-13-7-4-8-14-33/h3-8,11-14,17-24,27-30,43-46,49,61H,9-10,15-16,25-26H2,1-2H3,(H,53,55)(H,54,56)(H,57,63)(H,58,64)
• InChIKey: SHIBLLNZGDWBEB-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 177.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.02
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The IUPAC name of methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (CID 123792187) is methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.

What is the SMILES notation for methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The canonical SMILES for methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(-c3ccc4ccc(-c5ccc6nc(C7CCCN7C(O)C(NC(=O)OC)c7ccccc7)[nH]c6c5)cc4c3)cc2[nH]1)c1ccccc1.

What is the InChIKey of methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The InChIKey is SHIBLLNZGDWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N8O6/c1-65-51(63)57-45(32-11-5-3-6-12-32)49(61)59-25-9-15-43(59)47-53-39-23-21-36(29-41(39)55-47)34-19-17-31-18-20-35(28-38(31)27-34)37-22-24-40-42(30-37)56-48(54-40)44-16-10-26-60(44)50(62)46(58-52(64)66-2)33-13-7-4-8-14-33/h3-8,11-14,17-24,27-30,43-46,49,61H,9-10,15-16,25-26H2,1-2H3,(H,53,55)(H,54,56)(H,57,63)(H,58,64).

What are the key properties of methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate has a molecular weight of 883.02 g/mol, XLogP of 9.24, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-hydroxy-2-[2-[6-[7-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is sourced from PubChem (CID 123792187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).