(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one

C11H16N2OS — CID 176750421

IUPAC(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)N1C[C@@H](Cc2cccs2)NC1=O
InChIInChI=1S/C11H16N2OS/c1-8(2)13-7-9(12-11(13)14)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyACFWADLRPUGBKN-SECBINFHSA-N
MW224.33 g/mol
LogP2.09
Rot. Bonds3

About (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one

(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one (PubChem CID 176750421) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one
PubChem CID176750421
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)N1C[C@@H](Cc2cccs2)NC1=O
InChIInChI=1S/C11H16N2OS/c1-8(2)13-7-9(12-11(13)14)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyACFWADLRPUGBKN-SECBINFHSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one (CID 176750421) is (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one is CC(C)N1C[C@@H](Cc2cccs2)NC1=O.
What is the InChIKey of (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one?
The InChIKey is ACFWADLRPUGBKN-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)13-7-9(12-11(13)14)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one?
(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one has a molecular weight of 224.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 176750421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).