1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide

C23H26FN5O4S — CID 55356946

IUPAC1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H26FN5O4S/c1-5-23(15-7-9-16(24)10-8-15)21(30)29(22(31)26-23)14-20-25-18-13-17(34(32,33)27(3)4)11-12-19(18)28(20)6-2/h7-13H,5-6,14H2,1-4H3,(H,26,31)
InChIKeyJZCCJERKALUAJP-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.80
Rot. Bonds7

About 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide

1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide (PubChem CID 55356946) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
PubChem CID55356946
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H26FN5O4S/c1-5-23(15-7-9-16(24)10-8-15)21(30)29(22(31)26-23)14-20-25-18-13-17(34(32,33)27(3)4)11-12-19(18)28(20)6-2/h7-13H,5-6,14H2,1-4H3,(H,26,31)
InChIKeyJZCCJERKALUAJP-UHFFFAOYSA-N
XLogP2.80
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 42915515
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55533205
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-ethyl-N-(4-fluorophenyl)propanamide
CID 30997656
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
1-ethyl-N,N-dimethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 112801352
2-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 16597923
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 55531803
1-ethyl-N,N-dimethyl-2-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 56574630
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-[(S)-cyano-(4-fluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 41029991
3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4832172
2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 27218097

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide (CID 55356946) is 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide is CCn1c(CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is JZCCJERKALUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-5-23(15-7-9-16(24)10-8-15)21(30)29(22(31)26-23)14-20-25-18-13-17(34(32,33)27(3)4)11-12-19(18)28(20)6-2/h7-13H,5-6,14H2,1-4H3,(H,26,31).
What are the key properties of 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide?
1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 487.56 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 55356946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).