3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide

C14H18N4O — CID 82999412

IUPAC3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2ccnc2CC)c(N)c1
InChIInChI=1S/C14H18N4O/c1-3-13-17-7-8-18(13)12-6-5-10(9-11(12)15)14(19)16-4-2/h5-9H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyTUXIWFHSPNPTHO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide

3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide (PubChem CID 82999412) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
PubChem CID82999412
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2ccnc2CC)c(N)c1
InChIInChI=1S/C14H18N4O/c1-3-13-17-7-8-18(13)12-6-5-10(9-11(12)15)14(19)16-4-2/h5-9H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyTUXIWFHSPNPTHO-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(2-ethylimidazol-1-yl)benzoic acid
CID 61405550
ethyl 3-amino-4-(2-ethylimidazol-1-yl)benzoate
CID 61405600
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
methyl 1-[2-amino-4-(ethylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 82990708
3-amino-4-(3-cyano-1,2,4-triazol-1-yl)-N-ethylbenzamide
CID 82999641
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396
3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
CID 82999488
2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
3-amino-4-(2-methylimidazol-1-yl)benzamide
CID 43448491
4-(2-ethylimidazol-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82990561
2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
CID 63810233

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide (CID 82999412) is 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide is CCNC(=O)c1ccc(-n2ccnc2CC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide?
The InChIKey is TUXIWFHSPNPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-13-17-7-8-18(13)12-6-5-10(9-11(12)15)14(19)16-4-2/h5-9H,3-4,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide?
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide is sourced from PubChem (CID 82999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).