bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

C25H21F3N4O4 — CID 68763812

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2C)ccn1.c1cc2cc-2c1
InChIInChI=1S/C19H17F3N4O4.C6H4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27;1-2-5-4-6(5)3-1/h3-9,11H,10H2,1-2H3,(H,23,24,27);1-4H
InChIKeyNOYPABMBFBZABM-UHFFFAOYSA-N
MW498.46 g/mol
LogP4.96
Rot. Bonds5

About bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 68763812) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
PubChem CID68763812
Molecular FormulaC25H21F3N4O4
Molecular Weight498.46 g/mol
Exact Mass498.15
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2C)ccn1.c1cc2cc-2c1
InChIInChI=1S/C19H17F3N4O4.C6H4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27;1-2-5-4-6(5)3-1/h3-9,11H,10H2,1-2H3,(H,23,24,27);1-4H
InChIKeyNOYPABMBFBZABM-UHFFFAOYSA-N
XLogP4.96
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (CID 68763812) is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2C)ccn1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is NOYPABMBFBZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4.C6H4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27;1-2-5-4-6(5)3-1/h3-9,11H,10H2,1-2H3,(H,23,24,27);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 498.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 68763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).