[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C20H22F2N3O3+ — CID 8830957

IUPAC[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/p+1/t13-,17+/m0/s1
InChIKeyZUWDMTZIOXYZNY-SUMWQHHRSA-O
MW390.41 g/mol
LogP1.88
Rot. Bonds7

About [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8830957) has the molecular formula C20H22F2N3O3+ and a molecular weight of 390.41 g/mol. Its IUPAC name is [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8830957
Molecular FormulaC20H22F2N3O3+
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/p+1/t13-,17+/m0/s1
InChIKeyZUWDMTZIOXYZNY-SUMWQHHRSA-O
XLogP1.88
TPSA75.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8830970
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866682
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830405
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[(2S)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720414
[(2R)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720416
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830727
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830749
1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998344
1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
CID 102553814
[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8774591

Frequently Asked Questions

What is the IUPAC name of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8830957) is [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is ZUWDMTZIOXYZNY-SUMWQHHRSA-O. The full InChI is InChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/p+1/t13-,17+/m0/s1.
What are the key properties of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 390.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8830957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).