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

C24H28N4O4 — CID 16983766

IUPAC3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C24H28N4O4/c1-31-19-7-4-6-18(16-19)24(30)25-11-5-10-22-26-20-8-2-3-9-21(20)28(22)17-23(29)27-12-14-32-15-13-27/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,25,30)
InChIKeyHMKPSAKUZWRGNT-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.27
Rot. Bonds8

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

3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983766) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16983766
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C24H28N4O4/c1-31-19-7-4-6-18(16-19)24(30)25-11-5-10-22-26-20-8-2-3-9-21(20)28(22)17-23(29)27-12-14-32-15-13-27/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,25,30)
InChIKeyHMKPSAKUZWRGNT-UHFFFAOYSA-N
XLogP2.27
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.27
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

3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008033
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228
3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977877
2-(3,4-dimethoxyphenyl)-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985813
3-methoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16983669
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601
2-(3,4-dimethoxyphenyl)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994273
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992977
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide (CID 16983766) is 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide is COc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is HMKPSAKUZWRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-31-19-7-4-6-18(16-19)24(30)25-11-5-10-22-26-20-8-2-3-9-21(20)28(22)17-23(29)27-12-14-32-15-13-27/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,25,30).
What are the key properties of 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide?
3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).