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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Related Compounds

N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
CID 19353943
N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
CID 19354031
3-[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 19353975
1-benzyl-6-(2-pyrrolidin-1-ylethoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353930
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20984118
3-[2-(3,4-dimethylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 19353977
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
1-benzyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 70258191
3-[3-butyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 59699031

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).