N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide

C30H34N4O3 — CID 16992973

IUPACN-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H34N4O3/c1-33(21-24-13-5-2-6-14-24)30(36)22-34-27-18-11-10-17-26(27)32-28(34)19-9-4-12-20-31-29(35)23-37-25-15-7-3-8-16-25/h2-3,5-8,10-11,13-18H,4,9,12,19-23H2,1H3,(H,31,35)
InChIKeyZYKLTOUYGLUSNA-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.60
Rot. Bonds13

About N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide

N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide (PubChem CID 16992973) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
PubChem CID16992973
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H34N4O3/c1-33(21-24-13-5-2-6-14-24)30(36)22-34-27-18-11-10-17-26(27)32-28(34)19-9-4-12-20-31-29(35)23-37-25-15-7-3-8-16-25/h2-3,5-8,10-11,13-18H,4,9,12,19-23H2,1H3,(H,31,35)
InChIKeyZYKLTOUYGLUSNA-UHFFFAOYSA-N
XLogP4.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.60
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-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
CID 16993297
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16993286
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16978567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide (CID 16992973) is N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide is CN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide?
The InChIKey is ZYKLTOUYGLUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-33(21-24-13-5-2-6-14-24)30(36)22-34-27-18-11-10-17-26(27)32-28(34)19-9-4-12-20-31-29(35)23-37-25-15-7-3-8-16-25/h2-3,5-8,10-11,13-18H,4,9,12,19-23H2,1H3,(H,31,35).
What are the key properties of N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide has a molecular weight of 498.63 g/mol, XLogP of 4.60, 13 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-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16992973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).