5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide

C14H18N4O — CID 102705336

IUPAC5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCn2ccnc2)cc1N
InChIInChI=1S/C14H18N4O/c1-10-7-11(2)13(15)8-12(10)14(19)17-4-6-18-5-3-16-9-18/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19)
InChIKeyXVKKXOQYQTUHCL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.51
Rot. Bonds4

About 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide

5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide (PubChem CID 102705336) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
PubChem CID102705336
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCn2ccnc2)cc1N
InChIInChI=1S/C14H18N4O/c1-10-7-11(2)13(15)8-12(10)14(19)17-4-6-18-5-3-16-9-18/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19)
InChIKeyXVKKXOQYQTUHCL-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
5-amino-4-fluoro-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 62187203
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
3-amino-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 115548921

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide (CID 102705336) is 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCCn2ccnc2)cc1N.
What is the InChIKey of 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide?
The InChIKey is XVKKXOQYQTUHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-7-11(2)13(15)8-12(10)14(19)17-4-6-18-5-3-16-9-18/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide?
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).