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

C19H17F2N3O4 — CID 2695918

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)27-2/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDVYIGNAASIEFQM-IBGZPJMESA-N
MW389.36 g/mol
LogP3.10
Rot. Bonds6

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

(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2695918) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2695918
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)27-2/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDVYIGNAASIEFQM-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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Related Compounds

5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
5-(4-Methoxyphenyl)-5-(phenylmethyl)-2,4-imidazolidinedione
CID 23992485
N-cyclohexyl-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2997751
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 2999509
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16258888
N-[4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2,5-diketo-4-methyl-imidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 9608098
5-[4-(Difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 42886948
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]imidazolidine-2,4-dione
CID 135401321
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4805308
5-[4-(Difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 3755386
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2108700
3-[(4-Fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4805309

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2695918) is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1cccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is DVYIGNAASIEFQM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)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-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-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-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2695918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).