1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one

C21H18FN5OS — CID 118937757

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 118937757) has the molecular formula C21H18FN5OS and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
• PubChem CID: 118937757
• Molecular Formula: C21H18FN5OS
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.12
• IUPAC Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
• SMILES: Cc1scnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
• InChI: InChI=1S/C21H18FN5OS/c1-14-17(23-13-29-14)12-25-9-10-26(21(25)28)18-7-4-8-19-15(18)11-24-27(19)20-6-3-2-5-16(20)22/h2-8,11,13H,9-10,12H2,1H3
• InChIKey: ACZFEZZGQNPZKG-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one?

The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one (CID 118937757) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one?

The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one is Cc1scnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.

What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one?

The InChIKey is ACZFEZZGQNPZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS/c1-14-17(23-13-29-14)12-25-9-10-26(21(25)28)18-7-4-8-19-15(18)11-24-27(19)20-6-3-2-5-16(20)22/h2-8,11,13H,9-10,12H2,1H3.

What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one?

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118937757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).