N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide

C15H20N4O — CID 110484011

IUPACN-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-17(2)10-11-18(3)15(20)13-4-6-14(7-5-13)19-9-8-16-12-19/h4-9,12H,10-11H2,1-3H3
InChIKeyXXCLINKFQWRHQL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.51
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide (PubChem CID 110484011) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
PubChem CID110484011
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-17(2)10-11-18(3)15(20)13-4-6-14(7-5-13)19-9-8-16-12-19/h4-9,12H,10-11H2,1-3H3
InChIKeyXXCLINKFQWRHQL-UHFFFAOYSA-N
XLogP1.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
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-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide
CID 21275403
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 56891256
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide (CID 110484011) is N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide?
The InChIKey is XXCLINKFQWRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17(2)10-11-18(3)15(20)13-4-6-14(7-5-13)19-9-8-16-12-19/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide is sourced from PubChem (CID 110484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).