3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea

C20H29FN4O3 — CID 100714736

IUPAC3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(N2CCNC2=O)c1C
InChIInChI=1S/C20H29FN4O3/c1-3-10-24(13-15-6-4-5-12-28-15)20(27)23-17-8-7-16(21)18(14(17)2)25-11-9-22-19(25)26/h7-8,15H,3-6,9-13H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1
InChIKeyLBSFSUQDOSVPHY-OAHLLOKOSA-N
MW392.48 g/mol
LogP3.48
Rot. Bonds6

About 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea

3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea (PubChem CID 100714736) has the molecular formula C20H29FN4O3 and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
PubChem CID100714736
Molecular FormulaC20H29FN4O3
Molecular Weight392.48 g/mol
Exact Mass392.22
IUPAC Name3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(N2CCNC2=O)c1C
InChIInChI=1S/C20H29FN4O3/c1-3-10-24(13-15-6-4-5-12-28-15)20(27)23-17-8-7-16(21)18(14(17)2)25-11-9-22-19(25)26/h7-8,15H,3-6,9-13H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1
InChIKeyLBSFSUQDOSVPHY-OAHLLOKOSA-N
XLogP3.48
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The IUPAC name of 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea (CID 100714736) is 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea.
What is the SMILES notation for 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The canonical SMILES for 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea is CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(N2CCNC2=O)c1C.
What is the InChIKey of 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The InChIKey is LBSFSUQDOSVPHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29FN4O3/c1-3-10-24(13-15-6-4-5-12-28-15)20(27)23-17-8-7-16(21)18(14(17)2)25-11-9-22-19(25)26/h7-8,15H,3-6,9-13H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1.
What are the key properties of 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea has a molecular weight of 392.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea is sourced from PubChem (CID 100714736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).