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

C24H34FN3O2S — CID 146353313

IUPAC4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
SMILESC[C@H](NSCCCCCN1CC(=C2CCC2)NC1=O)c1cc(F)cc(OCC2CC2)c1
InChIInChI=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
InChIKeyALZXZGRQTAZBBJ-KRWDZBQOSA-N
MW447.62 g/mol
LogP5.55
Rot. Bonds12

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 Name4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
PubChem CID146353313
Molecular FormulaC24H34FN3O2S
Molecular Weight447.62 g/mol
Exact Mass447.24
IUPAC Name4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
SMILESC[C@H](NSCCCCCN1CC(=C2CCC2)NC1=O)c1cc(F)cc(OCC2CC2)c1
InChIInChI=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
InChIKeyALZXZGRQTAZBBJ-KRWDZBQOSA-N
XLogP5.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).