N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

C17H25N3O2 — CID 17028528

IUPACN-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C17H25N3O2/c1-5-22-8-6-7-18-17(21)11-20-14(4)19-15-9-12(2)13(3)10-16(15)20/h9-10H,5-8,11H2,1-4H3,(H,18,21)
InChIKeyWAYMTWPNJQPDEZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.50
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (PubChem CID 17028528) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
PubChem CID17028528
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C17H25N3O2/c1-5-22-8-6-7-18-17(21)11-20-14(4)19-15-9-12(2)13(3)10-16(15)20/h9-10H,5-8,11H2,1-4H3,(H,18,21)
InChIKeyWAYMTWPNJQPDEZ-UHFFFAOYSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.50
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-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032388
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
N-(2,6-dimethylphenyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028552
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031542
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (CID 17028528) is N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is CCOCCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The InChIKey is WAYMTWPNJQPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-22-8-6-7-18-17(21)11-20-14(4)19-15-9-12(2)13(3)10-16(15)20/h9-10H,5-8,11H2,1-4H3,(H,18,21).
What are the key properties of N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).