1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one

C16H29N3O — CID 104748010

IUPAC1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
SMILESCCCNC(Cn1ccn(CC)c1=O)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-10-17-15(14-8-6-5-7-9-14)13-19-12-11-18(4-2)16(19)20/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyWKZOKBHGLWOOJO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.62
Rot. Bonds7

About 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one

1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one (PubChem CID 104748010) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
PubChem CID104748010
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
SMILESCCCNC(Cn1ccn(CC)c1=O)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-10-17-15(14-8-6-5-7-9-14)13-19-12-11-18(4-2)16(19)20/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyWKZOKBHGLWOOJO-UHFFFAOYSA-N
XLogP2.62
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-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

N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
CID 63914629
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
CID 80580297
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one (CID 104748010) is 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one is CCCNC(Cn1ccn(CC)c1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one?
The InChIKey is WKZOKBHGLWOOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-10-17-15(14-8-6-5-7-9-14)13-19-12-11-18(4-2)16(19)20/h11-12,14-15,17H,3-10,13H2,1-2H3.
What are the key properties of 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one?
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one has a molecular weight of 279.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 104748010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).