1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C28H37FN4O — CID 139903760

About 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 139903760) has the molecular formula C28H37FN4O and a molecular weight of 464.63 g/mol. Its IUPAC name is 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• PubChem CID: 139903760
• Molecular Formula: C28H37FN4O
• Molecular Weight: 464.63 g/mol
• Exact Mass: 464.30
• IUPAC Name: 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• SMILES: Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2N1CCN(CCN2CCN(C(C)C)C2=O)CC1
• InChI: InChI=1S/C28H37FN4O/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-5-7-23(29)8-6-22)26-18-21(3)4-9-24(26)27/h4-9,18,20,25,27H,10-17,19H2,1-3H3/t25-,27+/m0/s1
• InChIKey: RYLUFOUUBWPVCW-AHKZPQOWSA-N
• XLogP: 4.47
• TPSA: 30.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.63
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The IUPAC name of 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 139903760) is 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

What is the SMILES notation for 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The canonical SMILES for 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2N1CCN(CCN2CCN(C(C)C)C2=O)CC1.

What is the InChIKey of 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The InChIKey is RYLUFOUUBWPVCW-AHKZPQOWSA-N. The full InChI is InChI=1S/C28H37FN4O/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-5-7-23(29)8-6-22)26-18-21(3)4-9-24(26)27/h4-9,18,20,25,27H,10-17,19H2,1-3H3/t25-,27+/m0/s1.

What are the key properties of 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 464.63 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 139903760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).