N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

C26H32N4O4 — CID 16992977

IUPACN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C26H32N4O4/c31-25(20-34-21-9-3-1-4-10-21)27-14-8-2-5-13-24-28-22-11-6-7-12-23(22)30(24)19-26(32)29-15-17-33-18-16-29/h1,3-4,6-7,9-12H,2,5,8,13-20H2,(H,27,31)
InChIKeyLQWGKHVDHGXXOX-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.80
Rot. Bonds11

About N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (PubChem CID 16992977) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
PubChem CID16992977
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C26H32N4O4/c31-25(20-34-21-9-3-1-4-10-21)27-14-8-2-5-13-24-28-22-11-6-7-12-23(22)30(24)19-26(32)29-15-17-33-18-16-29/h1,3-4,6-7,9-12H,2,5,8,13-20H2,(H,27,31)
InChIKeyLQWGKHVDHGXXOX-UHFFFAOYSA-N
XLogP2.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992815
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-(3,4-dimethoxyphenyl)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994273
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983766
2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985813
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (CID 16992977) is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The InChIKey is LQWGKHVDHGXXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-25(20-34-21-9-3-1-4-10-21)27-14-8-2-5-13-24-28-22-11-6-7-12-23(22)30(24)19-26(32)29-15-17-33-18-16-29/h1,3-4,6-7,9-12H,2,5,8,13-20H2,(H,27,31).
What are the key properties of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide has a molecular weight of 464.57 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 16992977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).