1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C26H25FN2O2S — CID 58031490

IUPAC1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C26H25FN2O2S/c1-17-12-24(29-11-10-28(26(29)31)16-18-6-8-22(27)9-7-18)32-25(17)23(30)15-19-13-20-4-2-3-5-21(20)14-19/h2-9,12,19H,10-11,13-16H2,1H3
InChIKeyPGIWDYXKKFAURO-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.63
Rot. Bonds6

About 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 58031490) has the molecular formula C26H25FN2O2S and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID58031490
Molecular FormulaC26H25FN2O2S
Molecular Weight448.56 g/mol
Exact Mass448.16
IUPAC Name1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C26H25FN2O2S/c1-17-12-24(29-11-10-28(26(29)31)16-18-6-8-22(27)9-7-18)32-25(17)23(30)15-19-13-20-4-2-3-5-21(20)14-19/h2-9,12,19H,10-11,13-16H2,1H3
InChIKeyPGIWDYXKKFAURO-UHFFFAOYSA-N
XLogP5.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(3-methylimidazol-4-yl)propanoyl]thiophen-2-yl]imidazolidin-2-one
CID 58031413
5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 59481210
N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481214
5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 59481182
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481266
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 58031490) is 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is Cc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is PGIWDYXKKFAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2S/c1-17-12-24(29-11-10-28(26(29)31)16-18-6-8-22(27)9-7-18)32-25(17)23(30)15-19-13-20-4-2-3-5-21(20)14-19/h2-9,12,19H,10-11,13-16H2,1H3.
What are the key properties of 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 448.56 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 58031490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).