N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C28H31N3O2 — CID 16978475

IUPACN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCCC(C)c1ccc(Cn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O2/c1-3-21(2)23-15-13-22(14-16-23)19-31-26-12-8-7-11-25(26)30-27(31)17-18-29-28(32)20-33-24-9-5-4-6-10-24/h4-16,21H,3,17-20H2,1-2H3,(H,29,32)
InChIKeyCCJNNGLHPYNSGW-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.34
Rot. Bonds10

About N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16978475) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16978475
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCCC(C)c1ccc(Cn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O2/c1-3-21(2)23-15-13-22(14-16-23)19-31-26-12-8-7-11-25(26)30-27(31)17-18-29-28(32)20-33-24-9-5-4-6-10-24/h4-16,21H,3,17-20H2,1-2H3,(H,29,32)
InChIKeyCCJNNGLHPYNSGW-UHFFFAOYSA-N
XLogP5.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992872
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
N-[3-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986308
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988334
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993356
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975173
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16971002
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16978475) is N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is CCC(C)c1ccc(Cn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is CCJNNGLHPYNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-3-21(2)23-15-13-22(14-16-23)19-31-26-12-8-7-11-25(26)30-27(31)17-18-29-28(32)20-33-24-9-5-4-6-10-24/h4-16,21H,3,17-20H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 441.58 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16978475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).