5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

C22H17F2N3O4 — CID 135401321

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O
InChIInChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)/b25-12+
InChIKeySQJLJCPOOCTJPX-BRJLIKDPSA-N
MW425.39 g/mol
LogP3.95
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 135401321) has the molecular formula C22H17F2N3O4 and a molecular weight of 425.39 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID135401321
Molecular FormulaC22H17F2N3O4
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O
InChIInChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)/b25-12+
InChIKeySQJLJCPOOCTJPX-BRJLIKDPSA-N
XLogP3.95
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-(Difluoromethoxy)phenyl]-3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4260829
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-ethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 9684070
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 135788062
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 136194902
(5S)-3-[(4-butoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2092740
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
CID 2425126
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
CID 2425128
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2514881
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644301
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644302
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644307
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644308

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 135401321) is 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is SQJLJCPOOCTJPX-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)/b25-12+.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135401321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).