(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C19H17F2N3O4 — CID 2644302

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-5-9-15(10-6-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-3-7-14(27-2)8-4-12/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyYIVMITYJYVZRQL-IBGZPJMESA-N
MW389.36 g/mol
LogP3.10
Rot. Bonds6

About (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2644302) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2644302
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-5-9-15(10-6-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-3-7-14(27-2)8-4-12/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyYIVMITYJYVZRQL-IBGZPJMESA-N
XLogP3.10
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2644302) is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is YIVMITYJYVZRQL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(13-5-9-15(10-6-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-3-7-14(27-2)8-4-12/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 389.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2644302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).