4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one

C24H34FN3O2S — CID 146353313

About 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one

4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one (PubChem CID 146353313) has the molecular formula C24H34FN3O2S and a molecular weight of 447.62 g/mol. Its IUPAC name is 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
• PubChem CID: 146353313
• Molecular Formula: C24H34FN3O2S
• Molecular Weight: 447.62 g/mol
• Exact Mass: 447.24
• IUPAC Name: 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
• SMILES: C[C@H](NSCCCCCN1CC(=C2CCC2)NC1=O)c1cc(F)cc(OCC2CC2)c1
• InChI: InChI=1S/C24H34FN3O2S/c1-17(20-12-21(25)14-22(13-20)30-16-18-8-9-18)27-31-11-4-2-3-10-28-15-23(26-24(28)29)19-6-5-7-19/h12-14,17-18,27H,2-11,15-16H2,1H3,(H,26,29)/t17-/m0/s1
• InChIKey: ALZXZGRQTAZBBJ-KRWDZBQOSA-N
• XLogP: 5.55
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.62
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one?

The IUPAC name of 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one (CID 146353313) is 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one.

What is the SMILES notation for 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one?

The canonical SMILES for 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one is C[C@H](NSCCCCCN1CC(=C2CCC2)NC1=O)c1cc(F)cc(OCC2CC2)c1.

What is the InChIKey of 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one?

The InChIKey is ALZXZGRQTAZBBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H34FN3O2S/c1-17(20-12-21(25)14-22(13-20)30-16-18-8-9-18)27-31-11-4-2-3-10-28-15-23(26-24(28)29)19-6-5-7-19/h12-14,17-18,27H,2-11,15-16H2,1H3,(H,26,29)/t17-/m0/s1.

What are the key properties of 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one?

4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one has a molecular weight of 447.62 g/mol, XLogP of 5.55, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one is sourced from PubChem (CID 146353313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).