N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide

C23H26N4O3 — CID 16982324

IUPACN-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26N4O3/c28-22(26-13-15-30-16-14-26)17-27-20-10-5-4-9-19(20)25-21(27)11-6-12-24-23(29)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29)
InChIKeyOOQWUULDENRURT-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.26
Rot. Bonds7

About N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide

N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982324) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16982324
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26N4O3/c28-22(26-13-15-30-16-14-26)17-27-20-10-5-4-9-19(20)25-21(27)11-6-12-24-23(29)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29)
InChIKeyOOQWUULDENRURT-UHFFFAOYSA-N
XLogP2.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.26
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

3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983766
3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977877
N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049
N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989415
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992977
(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992815
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966158
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601
2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985813
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide (CID 16982324) is N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is OOQWUULDENRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22(26-13-15-30-16-14-26)17-27-20-10-5-4-9-19(20)25-21(27)11-6-12-24-23(29)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29).
What are the key properties of N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).