1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole

C36H26N4O2 — CID 59815263

IUPAC1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole
SMILESCOc1ccc2cc(-n3cnc4ccccc43)ccc2c1-c1c(OC)ccc2cc(-n3cnc4ccccc43)ccc12
InChIInChI=1S/C36H26N4O2/c1-41-33-17-11-23-19-25(39-21-37-29-7-3-5-9-31(29)39)13-15-27(23)35(33)36-28-16-14-26(20-24(28)12-18-34(36)42-2)40-22-38-30-8-4-6-10-32(30)40/h3-22H,1-2H3
InChIKeyRLFTYPGYJPMRMD-UHFFFAOYSA-N
MW546.63 g/mol
LogP8.35
Rot. Bonds5

About 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole

1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole (PubChem CID 59815263) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole
PubChem CID59815263
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole
SMILESCOc1ccc2cc(-n3cnc4ccccc43)ccc2c1-c1c(OC)ccc2cc(-n3cnc4ccccc43)ccc12
InChIInChI=1S/C36H26N4O2/c1-41-33-17-11-23-19-25(39-21-37-29-7-3-5-9-31(29)39)13-15-27(23)35(33)36-28-16-14-26(20-24(28)12-18-34(36)42-2)40-22-38-30-8-4-6-10-32(30)40/h3-22H,1-2H3
InChIKeyRLFTYPGYJPMRMD-UHFFFAOYSA-N
XLogP8.35
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole?
The IUPAC name of 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole (CID 59815263) is 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole.
What is the SMILES notation for 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole?
The canonical SMILES for 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole is COc1ccc2cc(-n3cnc4ccccc43)ccc2c1-c1c(OC)ccc2cc(-n3cnc4ccccc43)ccc12.
What is the InChIKey of 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole?
The InChIKey is RLFTYPGYJPMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c1-41-33-17-11-23-19-25(39-21-37-29-7-3-5-9-31(29)39)13-15-27(23)35(33)36-28-16-14-26(20-24(28)12-18-34(36)42-2)40-22-38-30-8-4-6-10-32(30)40/h3-22H,1-2H3.
What are the key properties of 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole?
1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole has a molecular weight of 546.63 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(benzimidazol-1-yl)-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]benzimidazole is sourced from PubChem (CID 59815263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).