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

C22H24N4O2 — CID 17030738

IUPAC2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC=CCNC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-3-13-23-21(27)15-26-19-11-7-6-10-18(19)25-20(26)12-14-24-22(28)17-9-5-4-8-16(17)2/h3-11H,1,12-15H2,2H3,(H,23,27)(H,24,28)
InChIKeyKXKOWZIIHBWVGN-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.62
Rot. Bonds8

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

2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030738) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030738
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC=CCNC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-3-13-23-21(27)15-26-19-11-7-6-10-18(19)25-20(26)12-14-24-22(28)17-9-5-4-8-16(17)2/h3-11H,1,12-15H2,2H3,(H,23,27)(H,24,28)
InChIKeyKXKOWZIIHBWVGN-UHFFFAOYSA-N
XLogP2.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030705
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030738) is 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is C=CCNC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KXKOWZIIHBWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-13-23-21(27)15-26-19-11-7-6-10-18(19)25-20(26)12-14-24-22(28)17-9-5-4-8-16(17)2/h3-11H,1,12-15H2,2H3,(H,23,27)(H,24,28).
What are the key properties of 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).