1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one

C24H21F2N3O2 — CID 118415389

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1c1ccccc1
InChIInChI=1S/C24H21F2N3O2/c25-16-6-8-22-20(12-16)21-13-17(26)7-9-23(21)29(22)15-19(30)14-27-10-11-28(24(27)31)18-4-2-1-3-5-18/h1-9,12-13,19,30H,10-11,14-15H2
InChIKeyHXLCGRTUDBLGNG-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.38
Rot. Bonds5

About 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one (PubChem CID 118415389) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one
PubChem CID118415389
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1c1ccccc1
InChIInChI=1S/C24H21F2N3O2/c25-16-6-8-22-20(12-16)21-13-17(26)7-9-23(21)29(22)15-19(30)14-27-10-11-28(24(27)31)18-4-2-1-3-5-18/h1-9,12-13,19,30H,10-11,14-15H2
InChIKeyHXLCGRTUDBLGNG-UHFFFAOYSA-N
XLogP4.38
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one (CID 118415389) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one is O=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1c1ccccc1.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one?
The InChIKey is HXLCGRTUDBLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-16-6-8-22-20(12-16)21-13-17(26)7-9-23(21)29(22)15-19(30)14-27-10-11-28(24(27)31)18-4-2-1-3-5-18/h1-9,12-13,19,30H,10-11,14-15H2.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one has a molecular weight of 421.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 118415389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).