3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

C17H26N2OS — CID 83247562

IUPAC3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCc1ccc(C2NC(C(C)C)C(=O)N2CC2CCCC2)s1
InChIInChI=1S/C17H26N2OS/c1-11(2)15-17(20)19(10-13-6-4-5-7-13)16(18-15)14-9-8-12(3)21-14/h8-9,11,13,15-16,18H,4-7,10H2,1-3H3
InChIKeyCCBVNVIAJUQTTL-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.70
Rot. Bonds4

About 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83247562) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83247562
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCc1ccc(C2NC(C(C)C)C(=O)N2CC2CCCC2)s1
InChIInChI=1S/C17H26N2OS/c1-11(2)15-17(20)19(10-13-6-4-5-7-13)16(18-15)14-9-8-12(3)21-14/h8-9,11,13,15-16,18H,4-7,10H2,1-3H3
InChIKeyCCBVNVIAJUQTTL-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
3-(cyclobutylmethyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83244568
2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83247048
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268604
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260139

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (CID 83247562) is 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is Cc1ccc(C2NC(C(C)C)C(=O)N2CC2CCCC2)s1.
What is the InChIKey of 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is CCBVNVIAJUQTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-11(2)15-17(20)19(10-13-6-4-5-7-13)16(18-15)14-9-8-12(3)21-14/h8-9,11,13,15-16,18H,4-7,10H2,1-3H3.
What are the key properties of 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 306.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).