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

C21H18FN5OS — CID 118937757

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1scnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=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
InChIKeyACZFEZZGQNPZKG-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.37
Rot. Bonds4

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 Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
PubChem CID118937757
Molecular FormulaC21H18FN5OS
Molecular Weight407.47 g/mol
Exact Mass407.12
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1scnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=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
InChIKeyACZFEZZGQNPZKG-UHFFFAOYSA-N
XLogP4.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).