2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide

C16H11F6N3O2 — CID 146583076

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2
InChIInChI=1S/C16H11F6N3O2/c17-15(18,19)9-3-8(4-10(6-9)16(20,21)22)13-23-11-2-1-7(14(26)25-27)5-12(11)24-13/h1-6,13,23-24,27H,(H,25,26)
InChIKeyBYSVFPOKQVYSEO-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.38
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide (PubChem CID 146583076) has the molecular formula C16H11F6N3O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide
PubChem CID146583076
Molecular FormulaC16H11F6N3O2
Molecular Weight391.27 g/mol
Exact Mass391.08
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2
InChIInChI=1S/C16H11F6N3O2/c17-15(18,19)9-3-8(4-10(6-9)16(20,21)22)13-23-11-2-1-7(14(26)25-27)5-12(11)24-13/h1-6,13,23-24,27H,(H,25,26)
InChIKeyBYSVFPOKQVYSEO-UHFFFAOYSA-N
XLogP4.38
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide (CID 146583076) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2c(c1)NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The InChIKey is BYSVFPOKQVYSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2/c17-15(18,19)9-3-8(4-10(6-9)16(20,21)22)13-23-11-2-1-7(14(26)25-27)5-12(11)24-13/h1-6,13,23-24,27H,(H,25,26).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 4.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-2,3-dihydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146583076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).