N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide

C28H30N4O3 — CID 16986352

IUPACN-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H30N4O3/c1-31(19-22-11-4-2-5-12-22)28(34)20-32-25-16-9-8-15-24(25)30-26(32)17-10-18-29-27(33)21-35-23-13-6-3-7-14-23/h2-9,11-16H,10,17-21H2,1H3,(H,29,33)
InChIKeyNZTUCYDFYUHCKO-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.82
Rot. Bonds11

About N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide

N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide (PubChem CID 16986352) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
PubChem CID16986352
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H30N4O3/c1-31(19-22-11-4-2-5-12-22)28(34)20-32-25-16-9-8-15-24(25)30-26(32)17-10-18-29-27(33)21-35-23-13-6-3-7-14-23/h2-9,11-16H,10,17-21H2,1H3,(H,29,33)
InChIKeyNZTUCYDFYUHCKO-UHFFFAOYSA-N
XLogP3.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
CID 16993297
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16978567
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide (CID 16986352) is N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide is CN(Cc1ccccc1)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide?
The InChIKey is NZTUCYDFYUHCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31(19-22-11-4-2-5-12-22)28(34)20-32-25-16-9-8-15-24(25)30-26(32)17-10-18-29-27(33)21-35-23-13-6-3-7-14-23/h2-9,11-16H,10,17-21H2,1H3,(H,29,33).
What are the key properties of N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16986352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).