N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

C26H26N4O2 — CID 17007232

IUPACN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-3-29(21-9-5-4-6-10-21)25(31)18-30-23-12-8-7-11-22(23)28-24(30)17-27-26(32)20-15-13-19(2)14-16-20/h4-16H,3,17-18H2,1-2H3,(H,27,32)
InChIKeyJCSQTLRDRKEKNK-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.33
Rot. Bonds7

About N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (PubChem CID 17007232) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
PubChem CID17007232
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-3-29(21-9-5-4-6-10-21)25(31)18-30-23-12-8-7-11-22(23)28-24(30)17-27-26(32)20-15-13-19(2)14-16-20/h4-16H,3,17-18H2,1-2H3,(H,27,32)
InChIKeyJCSQTLRDRKEKNK-UHFFFAOYSA-N
XLogP4.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009275
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029492
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (CID 17007232) is N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is CCN(C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The InChIKey is JCSQTLRDRKEKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-3-29(21-9-5-4-6-10-21)25(31)18-30-23-12-8-7-11-22(23)28-24(30)17-27-26(32)20-15-13-19(2)14-16-20/h4-16H,3,17-18H2,1-2H3,(H,27,32).
What are the key properties of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 17007232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).