5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide

C14H18N4O — CID 102705968

IUPAC5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCc2ncc[nH]2)cc1N
InChIInChI=1S/C14H18N4O/c1-9-7-10(2)12(15)8-11(9)14(19)18-4-3-13-16-5-6-17-13/h5-8H,3-4,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBOIUCANBXDKEV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide

5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide (PubChem CID 102705968) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
PubChem CID102705968
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCc2ncc[nH]2)cc1N
InChIInChI=1S/C14H18N4O/c1-9-7-10(2)12(15)8-11(9)14(19)18-4-3-13-16-5-6-17-13/h5-8H,3-4,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBOIUCANBXDKEV-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-2-nitrobenzamide
CID 115668378

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide (CID 102705968) is 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCCc2ncc[nH]2)cc1N.
What is the InChIKey of 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is IBOIUCANBXDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-10(2)12(15)8-11(9)14(19)18-4-3-13-16-5-6-17-13/h5-8H,3-4,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide?
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).