N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide

C15H20N4O — CID 46774109

IUPACN-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-18(2)9-8-17-15(20)14-5-3-13(4-6-14)11-19-10-7-16-12-19/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyYMTAPXBEPUTGPD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide

N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 46774109) 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-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID46774109
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-18(2)9-8-17-15(20)14-5-3-13(4-6-14)11-19-10-7-16-12-19/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyYMTAPXBEPUTGPD-UHFFFAOYSA-N
XLogP1.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537554
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 56789513
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide (CID 46774109) is N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide is CN(C)CCNC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is YMTAPXBEPUTGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)9-8-17-15(20)14-5-3-13(4-6-14)11-19-10-7-16-12-19/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46774109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).