N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C26H27N3O2 — CID 4753702

IUPACN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O2/c1-18-13-14-19(2)21(15-18)16-29-24-12-8-7-11-23(24)28-26(29)20(3)27-25(30)17-31-22-9-5-4-6-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,30)
InChIKeyHLNWKRIUUBDJMP-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.96
Rot. Bonds7

About N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 4753702) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID4753702
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O2/c1-18-13-14-19(2)21(15-18)16-29-24-12-8-7-11-23(24)28-26(29)20(3)27-25(30)17-31-22-9-5-4-6-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,30)
InChIKeyHLNWKRIUUBDJMP-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970447
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3336029
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972157
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 4753702) is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is Cc1ccc(C)c(Cn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is HLNWKRIUUBDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-13-14-19(2)21(15-18)16-29-24-12-8-7-11-23(24)28-26(29)20(3)27-25(30)17-31-22-9-5-4-6-10-22/h4-15,20H,16-17H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 413.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 4753702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).