N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide

C18H26N4O — CID 21275378

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(CC)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-4-20(5-2)13-14-21(6-3)18(23)16-7-9-17(10-8-16)22-12-11-19-15-22/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyDEEYHMRZURVQHR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide

N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide (PubChem CID 21275378) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
PubChem CID21275378
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(CC)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-4-20(5-2)13-14-21(6-3)18(23)16-7-9-17(10-8-16)22-12-11-19-15-22/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyDEEYHMRZURVQHR-UHFFFAOYSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide
CID 21275403
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
N-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-fluorobenzamide;N-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;1H-imidazole
CID 21275408
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74245945
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide (CID 21275378) is N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide is CCN(CC)CCN(CC)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide?
The InChIKey is DEEYHMRZURVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-20(5-2)13-14-21(6-3)18(23)16-7-9-17(10-8-16)22-12-11-19-15-22/h7-12,15H,4-6,13-14H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 21275378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).