N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

C24H30N4O2 — CID 17031580

IUPACN-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCCCCNC(=O)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-3-4-15-25-23(29)17-28-21-9-6-5-8-20(21)27-22(28)10-7-16-26-24(30)19-13-11-18(2)12-14-19/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySPPBETOTNQFRRN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.62
Rot. Bonds10

About N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (PubChem CID 17031580) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
PubChem CID17031580
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCCCCNC(=O)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-3-4-15-25-23(29)17-28-21-9-6-5-8-20(21)27-22(28)10-7-16-26-24(30)19-13-11-18(2)12-14-19/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySPPBETOTNQFRRN-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The IUPAC name of N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (CID 17031580) is N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is CCCCNC(=O)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The InChIKey is SPPBETOTNQFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-4-15-25-23(29)17-28-21-9-6-5-8-20(21)27-22(28)10-7-16-26-24(30)19-13-11-18(2)12-14-19/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is sourced from PubChem (CID 17031580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).