4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one

C25H35FN4O3 — CID 142360422

IUPAC4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one
SMILESCC1C(=C2CC2)NC(=O)N1C/C=C/CCNNC1(c2ccc(F)c(OCC(C)(C)O)c2)CC1
InChIInChI=1S/C25H35FN4O3/c1-17-22(18-7-8-18)28-23(31)30(17)14-6-4-5-13-27-29-25(11-12-25)19-9-10-20(26)21(15-19)33-16-24(2,3)32/h4,6,9-10,15,17,27,29,32H,5,7-8,11-14,16H2,1-3H3,(H,28,31)/b6-4+
InChIKeySQGDFKUCJXCSMH-GQCTYLIASA-N
MW458.58 g/mol
LogP3.47
Rot. Bonds11

About 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one

4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one (PubChem CID 142360422) has the molecular formula C25H35FN4O3 and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one
PubChem CID142360422
Molecular FormulaC25H35FN4O3
Molecular Weight458.58 g/mol
Exact Mass458.27
IUPAC Name4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one
SMILESCC1C(=C2CC2)NC(=O)N1C/C=C/CCNNC1(c2ccc(F)c(OCC(C)(C)O)c2)CC1
InChIInChI=1S/C25H35FN4O3/c1-17-22(18-7-8-18)28-23(31)30(17)14-6-4-5-13-27-29-25(11-12-25)19-9-10-20(26)21(15-19)33-16-24(2,3)32/h4,6,9-10,15,17,27,29,32H,5,7-8,11-14,16H2,1-3H3,(H,28,31)/b6-4+
InChIKeySQGDFKUCJXCSMH-GQCTYLIASA-N
XLogP3.47
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one?
The IUPAC name of 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one (CID 142360422) is 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one is CC1C(=C2CC2)NC(=O)N1C/C=C/CCNNC1(c2ccc(F)c(OCC(C)(C)O)c2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one?
The InChIKey is SQGDFKUCJXCSMH-GQCTYLIASA-N. The full InChI is InChI=1S/C25H35FN4O3/c1-17-22(18-7-8-18)28-23(31)30(17)14-6-4-5-13-27-29-25(11-12-25)19-9-10-20(26)21(15-19)33-16-24(2,3)32/h4,6,9-10,15,17,27,29,32H,5,7-8,11-14,16H2,1-3H3,(H,28,31)/b6-4+.
What are the key properties of 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one?
4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one has a molecular weight of 458.58 g/mol, XLogP of 3.47, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 142360422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).