1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one

C20H21FN4O2 — CID 118937567

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
SMILESCC[C@H](O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C20H21FN4O2/c1-2-14(26)13-23-10-11-24(20(23)27)17-8-5-9-18-15(17)12-22-25(18)19-7-4-3-6-16(19)21/h3-9,12,14,26H,2,10-11,13H2,1H3/t14-/m0/s1
InChIKeyYCBUBWVYLCYXFI-AWEZNQCLSA-N
MW368.41 g/mol
LogP3.18
Rot. Bonds5

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one (PubChem CID 118937567) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
PubChem CID118937567
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
SMILESCC[C@H](O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C20H21FN4O2/c1-2-14(26)13-23-10-11-24(20(23)27)17-8-5-9-18-15(17)12-22-25(18)19-7-4-3-6-16(19)21/h3-9,12,14,26H,2,10-11,13H2,1H3/t14-/m0/s1
InChIKeyYCBUBWVYLCYXFI-AWEZNQCLSA-N
XLogP3.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one (CID 118937567) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one is CC[C@H](O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one?
The InChIKey is YCBUBWVYLCYXFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-2-14(26)13-23-10-11-24(20(23)27)17-8-5-9-18-15(17)12-22-25(18)19-7-4-3-6-16(19)21/h3-9,12,14,26H,2,10-11,13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one has a molecular weight of 368.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one is sourced from PubChem (CID 118937567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).