2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide

C17H22F2N4O2 — CID 42930192

IUPAC2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H22F2N4O2/c1-4-12(5-2)20-15(24)10-25-22-11(3)16-21-13-8-6-7-9-14(13)23(16)17(18)19/h6-9,12,17H,4-5,10H2,1-3H3,(H,20,24)/b22-11+
InChIKeyBUMOCRSVIUZYIV-SSDVNMTOSA-N
MW352.39 g/mol
LogP3.48
Rot. Bonds8

About 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide

2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide (PubChem CID 42930192) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide
PubChem CID42930192
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H22F2N4O2/c1-4-12(5-2)20-15(24)10-25-22-11(3)16-21-13-8-6-7-9-14(13)23(16)17(18)19/h6-9,12,17H,4-5,10H2,1-3H3,(H,20,24)/b22-11+
InChIKeyBUMOCRSVIUZYIV-SSDVNMTOSA-N
XLogP3.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 30102627
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxyacetamide
CID 42930191
4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-2-methylbutan-2-ol
CID 126807599
2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 42934294
(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methoxy]ethanimine
CID 55921632
N-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]-3-methoxyaniline
CID 94539435
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-pentan-3-ylacetamide
CID 60605268
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide (CID 42930192) is 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide?
The InChIKey is BUMOCRSVIUZYIV-SSDVNMTOSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-4-12(5-2)20-15(24)10-25-22-11(3)16-21-13-8-6-7-9-14(13)23(16)17(18)19/h6-9,12,17H,4-5,10H2,1-3H3,(H,20,24)/b22-11+.
What are the key properties of 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide?
2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide has a molecular weight of 352.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 42930192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).