1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one

C24H27FN4O2 — CID 118937591

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one
SMILESCC(C)CCCC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H27FN4O2/c1-17(2)7-5-8-18(30)16-27-13-14-28(24(27)31)21-11-6-12-22-19(21)15-26-29(22)23-10-4-3-9-20(23)25/h3-4,6,9-12,15,17H,5,7-8,13-14,16H2,1-2H3
InChIKeyWRCXRHUFBZWUKO-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.80
Rot. Bonds8

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one (PubChem CID 118937591) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one
PubChem CID118937591
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one
SMILESCC(C)CCCC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H27FN4O2/c1-17(2)7-5-8-18(30)16-27-13-14-28(24(27)31)21-11-6-12-22-19(21)15-26-29(22)23-10-4-3-9-20(23)25/h3-4,6,9-12,15,17H,5,7-8,13-14,16H2,1-2H3
InChIKeyWRCXRHUFBZWUKO-UHFFFAOYSA-N
XLogP4.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methylpyrazin-2-yl)methyl]imidazolidin-2-one
CID 118937656
2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937664
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-4-yl)imidazolidin-2-one
CID 118937702
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937760
N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 118937903
tert-butyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937913
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl-2-oxopentyl)imidazolidin-2-one
CID 118937925
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251
1-(1-Methylindazol-4-yl)-3-[[3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]urea
CID 162644886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one (CID 118937591) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one is CC(C)CCCC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one?
The InChIKey is WRCXRHUFBZWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17(2)7-5-8-18(30)16-27-13-14-28(24(27)31)21-11-6-12-22-19(21)15-26-29(22)23-10-4-3-9-20(23)25/h3-4,6,9-12,15,17H,5,7-8,13-14,16H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-(6-methyl-2-oxoheptyl)imidazolidin-2-one has a molecular weight of 422.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 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-(6-methyl-2-oxoheptyl)imidazolidin-2-one is sourced from PubChem (CID 118937591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).