oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

C51H42N8O8 — CID 69272525

IUPACoxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESO=C(Nc1nc2ccc(C3(OC(=O)Nc4nc5ccc(C6(O)c7ccccc7C(=O)N6Cc6ccccc6)cc5[nH]4)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCC1CCCO1
InChIInChI=1S/C51H42N8O8/c60-44-36-17-7-9-19-38(36)50(64,58(44)28-31-12-3-1-4-13-31)33-21-23-40-42(26-33)54-47(53-40)57-49(63)67-51(39-20-10-8-18-37(39)45(61)59(51)29-32-14-5-2-6-15-32)34-22-24-41-43(27-34)55-46(52-41)56-48(62)66-30-35-16-11-25-65-35/h1-10,12-15,17-24,26-27,35,64H,11,16,25,28-30H2,(H2,52,55,56,62)(H2,53,54,57,63)
InChIKeyQIDSVZBEUIAIKS-UHFFFAOYSA-N
MW894.95 g/mol
LogP8.12
Rot. Bonds11

About oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 69272525) has the molecular formula C51H42N8O8 and a molecular weight of 894.95 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
PubChem CID69272525
Molecular FormulaC51H42N8O8
Molecular Weight894.95 g/mol
Exact Mass894.31
IUPAC Nameoxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESO=C(Nc1nc2ccc(C3(OC(=O)Nc4nc5ccc(C6(O)c7ccccc7C(=O)N6Cc6ccccc6)cc5[nH]4)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCC1CCCO1
InChIInChI=1S/C51H42N8O8/c60-44-36-17-7-9-19-38(36)50(64,58(44)28-31-12-3-1-4-13-31)33-21-23-40-42(26-33)54-47(53-40)57-49(63)67-51(39-20-10-8-18-37(39)45(61)59(51)29-32-14-5-2-6-15-32)34-22-24-41-43(27-34)55-46(52-41)56-48(62)66-30-35-16-11-25-65-35/h1-10,12-15,17-24,26-27,35,64H,11,16,25,28-30H2,(H2,52,55,56,62)(H2,53,54,57,63)
InChIKeyQIDSVZBEUIAIKS-UHFFFAOYSA-N
XLogP8.12
TPSA204.10 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.95
LogP ≤ 58.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (CID 69272525) is oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is O=C(Nc1nc2ccc(C3(OC(=O)Nc4nc5ccc(C6(O)c7ccccc7C(=O)N6Cc6ccccc6)cc5[nH]4)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is QIDSVZBEUIAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N8O8/c60-44-36-17-7-9-19-38(36)50(64,58(44)28-31-12-3-1-4-13-31)33-21-23-40-42(26-33)54-47(53-40)57-49(63)67-51(39-20-10-8-18-37(39)45(61)59(51)29-32-14-5-2-6-15-32)34-22-24-41-43(27-34)55-46(52-41)56-48(62)66-30-35-16-11-25-65-35/h1-10,12-15,17-24,26-27,35,64H,11,16,25,28-30H2,(H2,52,55,56,62)(H2,53,54,57,63).
What are the key properties of oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 894.95 g/mol, XLogP of 8.12, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-[6-[2-benzyl-1-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 69272525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).