(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione

C16H13F2N3O3S — CID 2695897

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccs2)C1=O
InChIInChI=1S/C16H13F2N3O3S/c1-16(10-4-6-11(7-5-10)24-14(17)18)13(22)21(15(23)20-16)19-9-12-3-2-8-25-12/h2-9,14H,1H3,(H,20,23)/t16-/m1/s1
InChIKeyOWHQQLZFVPYDSF-MRXNPFEDSA-N
MW365.36 g/mol
LogP3.15
Rot. Bonds5

About (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione (PubChem CID 2695897) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione
PubChem CID2695897
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccs2)C1=O
InChIInChI=1S/C16H13F2N3O3S/c1-16(10-4-6-11(7-5-10)24-14(17)18)13(22)21(15(23)20-16)19-9-12-3-2-8-25-12/h2-9,14H,1H3,(H,20,23)/t16-/m1/s1
InChIKeyOWHQQLZFVPYDSF-MRXNPFEDSA-N
XLogP3.15
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695924
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-2-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695896
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42912687
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-1H-indol-3-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
CID 135730804
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2514881
3-[(4-chloro-3-nitrophenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4831250
5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4590732
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4037808
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione (CID 2695897) is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione is C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccs2)C1=O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione?
The InChIKey is OWHQQLZFVPYDSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-16(10-4-6-11(7-5-10)24-14(17)18)13(22)21(15(23)20-16)19-9-12-3-2-8-25-12/h2-9,14H,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione has a molecular weight of 365.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione is sourced from PubChem (CID 2695897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).