N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide

C24H26F3N5O3S — CID 174503768

IUPACN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide
SMILES[H]/N=C(\CC)CCC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C24H26F3N5O3S/c1-4-16(28)5-10-20(33)30-19-13-15(11-12-29-19)14-31-22(35)32(21(34)23(31,2)3)17-6-8-18(9-7-17)36-24(25,26)27/h6-9,11-13,28H,4-5,10,14H2,1-3H3,(H,29,30,33)/b28-16+
InChIKeyNGMFZEXRYGFOMR-LQKURTRISA-N
MW521.57 g/mol
LogP5.59
Rot. Bonds9

About N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide (PubChem CID 174503768) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide.

Molecular Properties

Compound NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide
PubChem CID174503768
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide
SMILES[H]/N=C(\CC)CCC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C24H26F3N5O3S/c1-4-16(28)5-10-20(33)30-19-13-15(11-12-29-19)14-31-22(35)32(21(34)23(31,2)3)17-6-8-18(9-7-17)36-24(25,26)27/h6-9,11-13,28H,4-5,10,14H2,1-3H3,(H,29,30,33)/b28-16+
InChIKeyNGMFZEXRYGFOMR-LQKURTRISA-N
XLogP5.59
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide?
The IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide (CID 174503768) is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide.
What is the SMILES notation for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide?
The canonical SMILES for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide is [H]/N=C(\CC)CCC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1.
What is the InChIKey of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide?
The InChIKey is NGMFZEXRYGFOMR-LQKURTRISA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-4-16(28)5-10-20(33)30-19-13-15(11-12-29-19)14-31-22(35)32(21(34)23(31,2)3)17-6-8-18(9-7-17)36-24(25,26)27/h6-9,11-13,28H,4-5,10,14H2,1-3H3,(H,29,30,33)/b28-16+.
What are the key properties of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide?
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide has a molecular weight of 521.57 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide is sourced from PubChem (CID 174503768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).