5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione

C22H18F2N2O4 — CID 42918894

IUPAC5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)c2cc1C
InChIInChI=1S/C22H18F2N2O4/c1-11-6-15-13(8-19(27)30-18(15)7-12(11)2)10-26-20(28)22(3,25-21(26)29)14-4-5-16(23)17(24)9-14/h4-9H,10H2,1-3H3,(H,25,29)
InChIKeyPMYAKXGPYGLIQM-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.66
Rot. Bonds3

About 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione

5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42918894) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID42918894
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)c2cc1C
InChIInChI=1S/C22H18F2N2O4/c1-11-6-15-13(8-19(27)30-18(15)7-12(11)2)10-26-20(28)22(3,25-21(26)29)14-4-5-16(23)17(24)9-14/h4-9H,10H2,1-3H3,(H,25,29)
InChIKeyPMYAKXGPYGLIQM-UHFFFAOYSA-N
XLogP3.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 42918894) is 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)c2cc1C.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PMYAKXGPYGLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c1-11-6-15-13(8-19(27)30-18(15)7-12(11)2)10-26-20(28)22(3,25-21(26)29)14-4-5-16(23)17(24)9-14/h4-9H,10H2,1-3H3,(H,25,29).
What are the key properties of 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 412.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42918894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).