N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide

C20H14Cl2F3N5O3 — CID 67636471

IUPACN-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc2c1nc(C(F)(F)F)n2CCN1C(=O)CNC1=O
InChIInChI=1S/C20H14Cl2F3N5O3/c21-11-4-2-5-12(22)16(11)27-17(32)10-3-1-6-13-15(10)28-18(20(23,24)25)29(13)7-8-30-14(31)9-26-19(30)33/h1-6H,7-9H2,(H,26,33)(H,27,32)
InChIKeyWXICGMNJZSBIEU-UHFFFAOYSA-N
MW500.26 g/mol
LogP4.17
Rot. Bonds5

About N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide

N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide (PubChem CID 67636471) has the molecular formula C20H14Cl2F3N5O3 and a molecular weight of 500.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide
PubChem CID67636471
Molecular FormulaC20H14Cl2F3N5O3
Molecular Weight500.26 g/mol
Exact Mass499.04
IUPAC NameN-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc2c1nc(C(F)(F)F)n2CCN1C(=O)CNC1=O
InChIInChI=1S/C20H14Cl2F3N5O3/c21-11-4-2-5-12(22)16(11)27-17(32)10-3-1-6-13-15(10)28-18(20(23,24)25)29(13)7-8-30-14(31)9-26-19(30)33/h1-6H,7-9H2,(H,26,33)(H,27,32)
InChIKeyWXICGMNJZSBIEU-UHFFFAOYSA-N
XLogP4.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.26
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide (CID 67636471) is N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc2c1nc(C(F)(F)F)n2CCN1C(=O)CNC1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The InChIKey is WXICGMNJZSBIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N5O3/c21-11-4-2-5-12(22)16(11)27-17(32)10-3-1-6-13-15(10)28-18(20(23,24)25)29(13)7-8-30-14(31)9-26-19(30)33/h1-6H,7-9H2,(H,26,33)(H,27,32).
What are the key properties of N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide?
N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide has a molecular weight of 500.26 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 67636471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).