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

C23H28N4O — CID 14664354

IUPACN-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H28N4O/c1-3-25(4-2)16-17-26(18-20-8-6-5-7-9-20)23(28)21-10-12-22(13-11-21)27-15-14-24-19-27/h5-15,19H,3-4,16-18H2,1-2H3
InChIKeyIHOWJVGEKBIQQA-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.86
Rot. Bonds9

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

N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 14664354) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID14664354
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H28N4O/c1-3-25(4-2)16-17-26(18-20-8-6-5-7-9-20)23(28)21-10-12-22(13-11-21)27-15-14-24-19-27/h5-15,19H,3-4,16-18H2,1-2H3
InChIKeyIHOWJVGEKBIQQA-UHFFFAOYSA-N
XLogP3.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide (CID 14664354) is N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide is CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is IHOWJVGEKBIQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-25(4-2)16-17-26(18-20-8-6-5-7-9-20)23(28)21-10-12-22(13-11-21)27-15-14-24-19-27/h5-15,19H,3-4,16-18H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide?
N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 376.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 14664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).