2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C19H24F2N4O2 — CID 30102627

IUPAC2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC/C(=N/OCC(=O)N[C@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H24F2N4O2/c1-12-7-3-4-8-14(12)22-17(26)11-27-24-13(2)18-23-15-9-5-6-10-16(15)25(18)19(20)21/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3,(H,22,26)/b24-13-/t12-,14+/m1/s1
InChIKeyJLPYTQIWROQDPN-DYPFPRJCSA-N
MW378.42 g/mol
LogP3.87
Rot. Bonds6

About 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 30102627) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID30102627
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC/C(=N/OCC(=O)N[C@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H24F2N4O2/c1-12-7-3-4-8-14(12)22-17(26)11-27-24-13(2)18-23-15-9-5-6-10-16(15)25(18)19(20)21/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3,(H,22,26)/b24-13-/t12-,14+/m1/s1
InChIKeyJLPYTQIWROQDPN-DYPFPRJCSA-N
XLogP3.87
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 30102627) is 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C/C(=N/OCC(=O)N[C@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is JLPYTQIWROQDPN-DYPFPRJCSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-12-7-3-4-8-14(12)22-17(26)11-27-24-13(2)18-23-15-9-5-6-10-16(15)25(18)19(20)21/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3,(H,22,26)/b24-13-/t12-,14+/m1/s1.
What are the key properties of 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 378.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 30102627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).