1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole

C54H46N4O — CID 162281143

IUPAC1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole
SMILESCN1CN(C(c2ccccc2)(c2ccccc2)c2cccc(Oc3cccc(C(c4ccccc4)(c4ccccc4)N4CN(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C54H46N4O/c1-55-39-57(51-35-17-15-33-49(51)55)53(41-21-7-3-8-22-41,42-23-9-4-10-24-42)45-29-19-31-47(37-45)59-48-32-20-30-46(38-48)54(43-25-11-5-12-26-43,44-27-13-6-14-28-44)58-40-56(2)50-34-16-18-36-52(50)58/h3-38H,39-40H2,1-2H3
InChIKeyQJUHTKUVXRUUKO-UHFFFAOYSA-N
MW766.99 g/mol
LogP11.89
Rot. Bonds10

About 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole

1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole (PubChem CID 162281143) has the molecular formula C54H46N4O and a molecular weight of 766.99 g/mol. Its IUPAC name is 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole
PubChem CID162281143
Molecular FormulaC54H46N4O
Molecular Weight766.99 g/mol
Exact Mass766.37
IUPAC Name1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole
SMILESCN1CN(C(c2ccccc2)(c2ccccc2)c2cccc(Oc3cccc(C(c4ccccc4)(c4ccccc4)N4CN(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C54H46N4O/c1-55-39-57(51-35-17-15-33-49(51)55)53(41-21-7-3-8-22-41,42-23-9-4-10-24-42)45-29-19-31-47(37-45)59-48-32-20-30-46(38-48)54(43-25-11-5-12-26-43,44-27-13-6-14-28-44)58-40-56(2)50-34-16-18-36-52(50)58/h3-38H,39-40H2,1-2H3
InChIKeyQJUHTKUVXRUUKO-UHFFFAOYSA-N
XLogP11.89
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-pyridinyl]-4-pyridinyl]oxy]phenyl]-3-methyl-2H-benzimidazole
CID 165155015
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-methyl-3-oxido-2H-benzimidazole
CID 173249614
2-methylsulfanyl-2-(3-phenoxyphenyl)propanenitrile
CID 54570589
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
sodium 3-(3-phenoxyphenoxy)phenolate
CID 23675667
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole (CID 162281143) is 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole is CN1CN(C(c2ccccc2)(c2ccccc2)c2cccc(Oc3cccc(C(c4ccccc4)(c4ccccc4)N4CN(C)c5ccccc54)c3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole?
The InChIKey is QJUHTKUVXRUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N4O/c1-55-39-57(51-35-17-15-33-49(51)55)53(41-21-7-3-8-22-41,42-23-9-4-10-24-42)45-29-19-31-47(37-45)59-48-32-20-30-46(38-48)54(43-25-11-5-12-26-43,44-27-13-6-14-28-44)58-40-56(2)50-34-16-18-36-52(50)58/h3-38H,39-40H2,1-2H3.
What are the key properties of 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole?
1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole has a molecular weight of 766.99 g/mol, XLogP of 11.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole is sourced from PubChem (CID 162281143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).