N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide

C24H30N4O — CID 21275403

IUPACN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1c(C)cccc1C
InChIInChI=1S/C24H30N4O/c1-5-26(6-2)16-17-28(23-19(3)8-7-9-20(23)4)24(29)21-10-12-22(13-11-21)27-15-14-25-18-27/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyFFAYWBPUNGEZHZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.48
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide

N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide (PubChem CID 21275403) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide
PubChem CID21275403
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1c(C)cccc1C
InChIInChI=1S/C24H30N4O/c1-5-26(6-2)16-17-28(23-19(3)8-7-9-20(23)4)24(29)21-10-12-22(13-11-21)27-15-14-25-18-27/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyFFAYWBPUNGEZHZ-UHFFFAOYSA-N
XLogP4.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
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-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
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-[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
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
CID 75434284

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide (CID 21275403) is N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide is CCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1c(C)cccc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide?
The InChIKey is FFAYWBPUNGEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-5-26(6-2)16-17-28(23-19(3)8-7-9-20(23)4)24(29)21-10-12-22(13-11-21)27-15-14-25-18-27/h7-15,18H,5-6,16-17H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 4.48, 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-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 21275403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).