1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one

C23H27FN4O2 — CID 118937665

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one
SMILESCC(C)C[C@](C)(O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H27FN4O2/c1-16(2)13-23(3,30)15-26-11-12-27(22(26)29)19-9-6-10-20-17(19)14-25-28(20)21-8-5-4-7-18(21)24/h4-10,14,16,30H,11-13,15H2,1-3H3/t23-/m0/s1
InChIKeyJHCGKDLPHAAUPR-QHCPKHFHSA-N
MW410.49 g/mol
LogP4.20
Rot. Bonds6

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one (PubChem CID 118937665) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one
PubChem CID118937665
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one
SMILESCC(C)C[C@](C)(O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H27FN4O2/c1-16(2)13-23(3,30)15-26-11-12-27(22(26)29)19-9-6-10-20-17(19)14-25-28(20)21-8-5-4-7-18(21)24/h4-10,14,16,30H,11-13,15H2,1-3H3/t23-/m0/s1
InChIKeyJHCGKDLPHAAUPR-QHCPKHFHSA-N
XLogP4.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.20
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-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one (CID 118937665) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one is CC(C)C[C@](C)(O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one?
The InChIKey is JHCGKDLPHAAUPR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16(2)13-23(3,30)15-26-11-12-27(22(26)29)19-9-6-10-20-17(19)14-25-28(20)21-8-5-4-7-18(21)24/h4-10,14,16,30H,11-13,15H2,1-3H3/t23-/m0/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one has a molecular weight of 410.49 g/mol, XLogP of 4.20, 6 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-hydroxy-2,4-dimethylpentyl]imidazolidin-2-one is sourced from PubChem (CID 118937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).