3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide

C23H26N4O2 — CID 17031571

IUPAC3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESC=CCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-3-13-24-22(28)16-27-20-11-5-4-10-19(20)26-21(27)12-7-14-25-23(29)18-9-6-8-17(2)15-18/h3-6,8-11,15H,1,7,12-14,16H2,2H3,(H,24,28)(H,25,29)
InChIKeyTYUWAEYCXQWBIS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.01
Rot. Bonds9

About 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide

3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031571) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID17031571
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESC=CCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-3-13-24-22(28)16-27-20-11-5-4-10-19(20)26-21(27)12-7-14-25-23(29)18-9-6-8-17(2)15-18/h3-6,8-11,15H,1,7,12-14,16H2,2H3,(H,24,28)(H,25,29)
InChIKeyTYUWAEYCXQWBIS-UHFFFAOYSA-N
XLogP3.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
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]-3-methylbenzamide
CID 17031542
3-methyl-N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031539
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
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030738
3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029762
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031571) is 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide is C=CCNC(=O)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is TYUWAEYCXQWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-13-24-22(28)16-27-20-11-5-4-10-19(20)26-21(27)12-7-14-25-23(29)18-9-6-8-17(2)15-18/h3-6,8-11,15H,1,7,12-14,16H2,2H3,(H,24,28)(H,25,29).
What are the key properties of 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide?
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).