1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole

C49H36N2O2 — CID 18736755

IUPAC1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
SMILESCOc1ccc2ccccc2c1-c1c(N2CN(c3ccc4ccccc4c3-c3c(OC)ccc4ccccc34)c3ccccc32)ccc2ccccc12
InChIInChI=1S/C49H36N2O2/c1-52-44-29-25-34-15-5-9-19-38(34)48(44)46-36-17-7-3-13-32(36)23-27-42(46)50-31-51(41-22-12-11-21-40(41)50)43-28-24-33-14-4-8-18-37(33)47(43)49-39-20-10-6-16-35(39)26-30-45(49)53-2/h3-30H,31H2,1-2H3
InChIKeyMLRIRTGIDZFJJU-UHFFFAOYSA-N
MW684.84 g/mol
LogP12.90
Rot. Bonds6

About 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole

1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole (PubChem CID 18736755) has the molecular formula C49H36N2O2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole.

Molecular Properties

Compound Name1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
PubChem CID18736755
Molecular FormulaC49H36N2O2
Molecular Weight684.84 g/mol
Exact Mass684.28
IUPAC Name1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
SMILESCOc1ccc2ccccc2c1-c1c(N2CN(c3ccc4ccccc4c3-c3c(OC)ccc4ccccc34)c3ccccc32)ccc2ccccc12
InChIInChI=1S/C49H36N2O2/c1-52-44-29-25-34-15-5-9-19-38(34)48(44)46-36-17-7-3-13-32(36)23-27-42(46)50-31-51(41-22-12-11-21-40(41)50)43-28-24-33-14-4-8-18-37(33)47(43)49-39-20-10-6-16-35(39)26-30-45(49)53-2/h3-30H,31H2,1-2H3
InChIKeyMLRIRTGIDZFJJU-UHFFFAOYSA-N
XLogP12.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole?
The IUPAC name of 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole (CID 18736755) is 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole.
What is the SMILES notation for 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole?
The canonical SMILES for 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole is COc1ccc2ccccc2c1-c1c(N2CN(c3ccc4ccccc4c3-c3c(OC)ccc4ccccc34)c3ccccc32)ccc2ccccc12.
What is the InChIKey of 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole?
The InChIKey is MLRIRTGIDZFJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O2/c1-52-44-29-25-34-15-5-9-19-38(34)48(44)46-36-17-7-3-13-32(36)23-27-42(46)50-31-51(41-22-12-11-21-40(41)50)43-28-24-33-14-4-8-18-37(33)47(43)49-39-20-10-6-16-35(39)26-30-45(49)53-2/h3-30H,31H2,1-2H3.
What are the key properties of 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole?
1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole has a molecular weight of 684.84 g/mol, XLogP of 12.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole is sourced from PubChem (CID 18736755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).