N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide

C25H32N4O3 — CID 17031542

IUPACN-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
SMILESCCOCCCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H32N4O3/c1-3-32-16-8-15-26-24(30)18-29-22-12-5-4-11-21(22)28-23(29)13-7-14-27-25(31)20-10-6-9-19(2)17-20/h4-6,9-12,17H,3,7-8,13-16,18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXCIQFRZEQGIVLY-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.25
Rot. Bonds12

About N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide

N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide (PubChem CID 17031542) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
PubChem CID17031542
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
SMILESCCOCCCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H32N4O3/c1-3-32-16-8-15-26-24(30)18-29-22-12-5-4-11-21(22)28-23(29)13-7-14-27-25(31)20-10-6-9-19(2)17-20/h4-6,9-12,17H,3,7-8,13-16,18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXCIQFRZEQGIVLY-UHFFFAOYSA-N
XLogP3.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
3-methyl-N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031539
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide?
The IUPAC name of N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide (CID 17031542) is N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide is CCOCCCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide?
The InChIKey is XCIQFRZEQGIVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-32-16-8-15-26-24(30)18-29-22-12-5-4-11-21(22)28-23(29)13-7-14-27-25(31)20-10-6-9-19(2)17-20/h4-6,9-12,17H,3,7-8,13-16,18H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide?
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide is sourced from PubChem (CID 17031542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).