2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide

C26H34N4O3 — CID 16986343

IUPAC2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H34N4O3/c1-3-17-29(18-4-2)26(32)19-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)20-33-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31)
InChIKeyLIIAUIKHCPOTRS-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.81
Rot. Bonds13

About 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 16986343) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
PubChem CID16986343
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H34N4O3/c1-3-17-29(18-4-2)26(32)19-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)20-33-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31)
InChIKeyLIIAUIKHCPOTRS-UHFFFAOYSA-N
XLogP3.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.81
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-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16993286
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
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 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide (CID 16986343) is 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is LIIAUIKHCPOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-17-29(18-4-2)26(32)19-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)20-33-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31).
What are the key properties of 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 450.58 g/mol, XLogP of 3.81, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 16986343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).