2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine

C36H33N3O — CID 102328531

IUPAC2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C36H33N3O/c1-38(2)20-21-40-33-18-19-34-35(25-33)39(26-27-12-6-3-7-13-27)36(37-34)32-23-30(28-14-8-4-9-15-28)22-31(24-32)29-16-10-5-11-17-29/h3-19,22-25H,20-21,26H2,1-2H3
InChIKeyNXMYUMNTLPDJRN-UHFFFAOYSA-N
MW523.68 g/mol
LogP8.03
Rot. Bonds9

About 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine

2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine (PubChem CID 102328531) has the molecular formula C36H33N3O and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine
PubChem CID102328531
Molecular FormulaC36H33N3O
Molecular Weight523.68 g/mol
Exact Mass523.26
IUPAC Name2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C36H33N3O/c1-38(2)20-21-40-33-18-19-34-35(25-33)39(26-27-12-6-3-7-13-27)36(37-34)32-23-30(28-14-8-4-9-15-28)22-31(24-32)29-16-10-5-11-17-29/h3-19,22-25H,20-21,26H2,1-2H3
InChIKeyNXMYUMNTLPDJRN-UHFFFAOYSA-N
XLogP8.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine (CID 102328531) is 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1ccc2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine?
The InChIKey is NXMYUMNTLPDJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O/c1-38(2)20-21-40-33-18-19-34-35(25-33)39(26-27-12-6-3-7-13-27)36(37-34)32-23-30(28-14-8-4-9-15-28)22-31(24-32)29-16-10-5-11-17-29/h3-19,22-25H,20-21,26H2,1-2H3.
What are the key properties of 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine?
2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine has a molecular weight of 523.68 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 102328531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).