5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one

C16H25N3OS — CID 83245993

IUPAC5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CC2CCN(CC)C2)C1=O
InChIInChI=1S/C16H25N3OS/c1-3-14-16(20)19(10-12-5-7-18(4-2)9-12)15(17-14)13-6-8-21-11-13/h6,8,11-12,14-15,17H,3-5,7,9-10H2,1-2H3
InChIKeyAJMLMIDMMKYBPW-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.30
Rot. Bonds5

About 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one

5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83245993) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83245993
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CC2CCN(CC)C2)C1=O
InChIInChI=1S/C16H25N3OS/c1-3-14-16(20)19(10-12-5-7-18(4-2)9-12)15(17-14)13-6-8-21-11-13/h6,8,11-12,14-15,17H,3-5,7,9-10H2,1-2H3
InChIKeyAJMLMIDMMKYBPW-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83256770
3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83266746
5-ethyl-3-[(1-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258168
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83245993) is 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CCC1NC(c2ccsc2)N(CC2CCN(CC)C2)C1=O.
What is the InChIKey of 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is AJMLMIDMMKYBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-14-16(20)19(10-12-5-7-18(4-2)9-12)15(17-14)13-6-8-21-11-13/h6,8,11-12,14-15,17H,3-5,7,9-10H2,1-2H3.
What are the key properties of 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83245993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).