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

C20H23N3O2 — CID 17007225

IUPACN-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCOCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-25-13-12-23-18-7-5-4-6-17(18)22-19(23)14-21-20(24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyCTXDGSHLJSFWQV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds7

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

N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide (PubChem CID 17007225) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
PubChem CID17007225
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCOCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-25-13-12-23-18-7-5-4-6-17(18)22-19(23)14-21-20(24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyCTXDGSHLJSFWQV-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007160
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007205
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
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006686

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide (CID 17007225) is N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide is CCOCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide?
The InChIKey is CTXDGSHLJSFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-25-13-12-23-18-7-5-4-6-17(18)22-19(23)14-21-20(24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide?
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 17007225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).