2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole

C56H64N2O7 — CID 102284588

IUPAC2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
SMILESCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1
InChIInChI=1S/C56H64N2O7/c1-38(32-59-7)60-33-39(2)61-34-40(3)62-35-41(4)63-36-42(5)64-37-43(6)65-51-28-26-50(27-29-51)56-57-54-52(48-22-18-46(19-23-48)44-14-10-8-11-15-44)30-31-53(55(54)58-56)49-24-20-47(21-25-49)45-16-12-9-13-17-45/h8-31,38-43H,32-37H2,1-7H3,(H,57,58)
InChIKeyYOACJLJBIOAVAP-UHFFFAOYSA-N
MW877.14 g/mol
LogP12.34
Rot. Bonds24

About 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole

2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole (PubChem CID 102284588) has the molecular formula C56H64N2O7 and a molecular weight of 877.14 g/mol. Its IUPAC name is 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
PubChem CID102284588
Molecular FormulaC56H64N2O7
Molecular Weight877.14 g/mol
Exact Mass876.47
IUPAC Name2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole
SMILESCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1
InChIInChI=1S/C56H64N2O7/c1-38(32-59-7)60-33-39(2)61-34-40(3)62-35-41(4)63-36-42(5)64-37-43(6)65-51-28-26-50(27-29-51)56-57-54-52(48-22-18-46(19-23-48)44-14-10-8-11-15-44)30-31-53(55(54)58-56)49-24-20-47(21-25-49)45-16-12-9-13-17-45/h8-31,38-43H,32-37H2,1-7H3,(H,57,58)
InChIKeyYOACJLJBIOAVAP-UHFFFAOYSA-N
XLogP12.34
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.14
LogP ≤ 512.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole with MolForge

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Related Compounds

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2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
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2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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CID 5176717
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CID 25010379
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole (CID 102284588) is 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole is COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)Oc1ccc(-c2nc3c(-c4ccc(-c5ccccc5)cc4)ccc(-c4ccc(-c5ccccc5)cc4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
The InChIKey is YOACJLJBIOAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N2O7/c1-38(32-59-7)60-33-39(2)61-34-40(3)62-35-41(4)63-36-42(5)64-37-43(6)65-51-28-26-50(27-29-51)56-57-54-52(48-22-18-46(19-23-48)44-14-10-8-11-15-44)30-31-53(55(54)58-56)49-24-20-47(21-25-49)45-16-12-9-13-17-45/h8-31,38-43H,32-37H2,1-7H3,(H,57,58).
What are the key properties of 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole?
2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole has a molecular weight of 877.14 g/mol, XLogP of 12.34, 24 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]phenyl]-4,7-bis(4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 102284588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).