1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione

C21H29FN4O3 — CID 142361163

IUPAC1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
SMILESCC(C)(NNCC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H29FN4O3/c1-21(2,16-8-9-17(22)18(12-16)29-14-15-6-7-15)25-23-10-4-3-5-11-26-13-19(27)24-20(26)28/h3,5,8-9,12,15,23,25H,4,6-7,10-11,13-14H2,1-2H3,(H,24,27,28)/b5-3+
InChIKeySMIFZUFZNCUQCJ-HWKANZROSA-N
MW404.49 g/mol
LogP2.44
Rot. Bonds11

About 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione

1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione (PubChem CID 142361163) has the molecular formula C21H29FN4O3 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
PubChem CID142361163
Molecular FormulaC21H29FN4O3
Molecular Weight404.49 g/mol
Exact Mass404.22
IUPAC Name1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
SMILESCC(C)(NNCC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H29FN4O3/c1-21(2,16-8-9-17(22)18(12-16)29-14-15-6-7-15)25-23-10-4-3-5-11-26-13-19(27)24-20(26)28/h3,5,8-9,12,15,23,25H,4,6-7,10-11,13-14H2,1-2H3,(H,24,27,28)/b5-3+
InChIKeySMIFZUFZNCUQCJ-HWKANZROSA-N
XLogP2.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione (CID 142361163) is 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione is CC(C)(NNCC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione?
The InChIKey is SMIFZUFZNCUQCJ-HWKANZROSA-N. The full InChI is InChI=1S/C21H29FN4O3/c1-21(2,16-8-9-17(22)18(12-16)29-14-15-6-7-15)25-23-10-4-3-5-11-26-13-19(27)24-20(26)28/h3,5,8-9,12,15,23,25H,4,6-7,10-11,13-14H2,1-2H3,(H,24,27,28)/b5-3+.
What are the key properties of 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione?
1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 2.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 142361163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).