N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide

C15H23N5O — CID 90647467

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C15H23N5O/c1-4-14-16-6-9-19(14)8-5-15(21)17-7-10-20-11-18-12(2)13(20)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,21)
InChIKeyGDSBIZCKPRPJDD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 90647467) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID90647467
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C15H23N5O/c1-4-14-16-6-9-19(14)8-5-15(21)17-7-10-20-11-18-12(2)13(20)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,21)
InChIKeyGDSBIZCKPRPJDD-UHFFFAOYSA-N
XLogP1.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide (CID 90647467) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is GDSBIZCKPRPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-14-16-6-9-19(14)8-5-15(21)17-7-10-20-11-18-12(2)13(20)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 90647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).