1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one

C17H19N3O2S — CID 9052527

IUPAC1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)16(14-3-2-10-23-14)19-11-15(21)20-9-8-18-17(20)22/h2-7,10,16,19H,8-9,11H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyPRIMJEVUDGSTGI-MRXNPFEDSA-N
MW329.43 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one

1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one (PubChem CID 9052527) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
PubChem CID9052527
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)16(14-3-2-10-23-14)19-11-15(21)20-9-8-18-17(20)22/h2-7,10,16,19H,8-9,11H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyPRIMJEVUDGSTGI-MRXNPFEDSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8868503
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide
CID 45281305
1-(2,3-dihydroindol-1-yl)-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]ethanone
CID 46566924
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]ethanone
CID 37223240
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
N-(furan-2-ylmethyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867058
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one (CID 9052527) is 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one is Cc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2cccs2)cc1.
What is the InChIKey of 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is PRIMJEVUDGSTGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)16(14-3-2-10-23-14)19-11-15(21)20-9-8-18-17(20)22/h2-7,10,16,19H,8-9,11H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one?
1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 329.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9052527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).