N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide

C20H24F2N4O2 — CID 42930191

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)NCCC1=CCCCC1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H24F2N4O2/c1-14(19-24-16-9-5-6-10-17(16)26(19)20(21)22)25-28-13-18(27)23-12-11-15-7-3-2-4-8-15/h5-7,9-10,20H,2-4,8,11-13H2,1H3,(H,23,27)/b25-14+
InChIKeyBAAMAUZYRXAEFC-AFUMVMLFSA-N
MW390.43 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide (PubChem CID 42930191) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide
PubChem CID42930191
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)NCCC1=CCCCC1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H24F2N4O2/c1-14(19-24-16-9-5-6-10-17(16)26(19)20(21)22)25-28-13-18(27)23-12-11-15-7-3-2-4-8-15/h5-7,9-10,20H,2-4,8,11-13H2,1H3,(H,23,27)/b25-14+
InChIKeyBAAMAUZYRXAEFC-AFUMVMLFSA-N
XLogP4.18
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 42934294
2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 30102627
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 73400899
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111209372
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4834729
methyl 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]iminomethyl]benzoate
CID 2435550
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347507
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 75136125
N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 2463036
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111208995
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 26928258
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide (CID 42930191) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide is C/C(=N\OCC(=O)NCCC1=CCCCC1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide?
The InChIKey is BAAMAUZYRXAEFC-AFUMVMLFSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-14(19-24-16-9-5-6-10-17(16)26(19)20(21)22)25-28-13-18(27)23-12-11-15-7-3-2-4-8-15/h5-7,9-10,20H,2-4,8,11-13H2,1H3,(H,23,27)/b25-14+.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide has a molecular weight of 390.43 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide is sourced from PubChem (CID 42930191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).