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

C19H17F2N3O4 — CID 2644308

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C19H17F2N3O4/c1-19(13-7-9-14(10-8-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-5-3-4-6-15(12)27-2/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyHMHXCAIBVWUOQP-IBGZPJMESA-N
MW389.36 g/mol
LogP3.10
Rot. Bonds6

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

(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2644308) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2644308
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C19H17F2N3O4/c1-19(13-7-9-14(10-8-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-5-3-4-6-15(12)27-2/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyHMHXCAIBVWUOQP-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-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2644308) is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is HMHXCAIBVWUOQP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(13-7-9-14(10-8-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-5-3-4-6-15(12)27-2/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-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-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2644308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).