1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one

C11H16N4O — CID 116624386

IUPAC1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
SMILESCCn1ccn(CCCn2ccnc2)c1=O
InChIInChI=1S/C11H16N4O/c1-2-14-8-9-15(11(14)16)6-3-5-13-7-4-12-10-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBAURXUNAQWMXIG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.96
Rot. Bonds5

About 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one

1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one (PubChem CID 116624386) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
PubChem CID116624386
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
SMILESCCn1ccn(CCCn2ccnc2)c1=O
InChIInChI=1S/C11H16N4O/c1-2-14-8-9-15(11(14)16)6-3-5-13-7-4-12-10-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBAURXUNAQWMXIG-UHFFFAOYSA-N
XLogP0.96
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one 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

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544
carbonic acid;1-dodecylimidazole
CID 175596781
acetic acid;1-decylimidazole
CID 175546754
3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
CID 103125486
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
sodium;1-butylimidazole;bromide
CID 175480877
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
1-ethylimidazole;octane
CID 145297576

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one (CID 116624386) is 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one is CCn1ccn(CCCn2ccnc2)c1=O.
What is the InChIKey of 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one?
The InChIKey is BAURXUNAQWMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-14-8-9-15(11(14)16)6-3-5-13-7-4-12-10-13/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one?
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one is sourced from PubChem (CID 116624386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).