2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C26H27N3O2 — CID 16979574

IUPAC2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2Cc2ccccc2C)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-3-4-8-21(19)18-29-24-10-6-5-9-23(24)28-25(29)15-16-27-26(30)17-20-11-13-22(31-2)14-12-20/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeySJMHRAPDJBUKNH-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.30
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979574) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16979574
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2Cc2ccccc2C)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-3-4-8-21(19)18-29-24-10-6-5-9-23(24)28-25(29)15-16-27-26(30)17-20-11-13-22(31-2)14-12-20/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeySJMHRAPDJBUKNH-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975902
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976379
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16985556

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979574) is 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(CC(=O)NCCc2nc3ccccc3n2Cc2ccccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is SJMHRAPDJBUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-7-3-4-8-21(19)18-29-24-10-6-5-9-23(24)28-25(29)15-16-27-26(30)17-20-11-13-22(31-2)14-12-20/h3-14H,15-18H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).