N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide

C24H20F3N3O3 — CID 169024528

IUPACN-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2ncn(-c3ccc(OCCCc4ccc(C(F)(F)F)cc4)cc3)c2c1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-6-3-16(4-7-18)2-1-13-33-20-10-8-19(9-11-20)30-15-28-21-12-5-17(14-22(21)30)23(31)29-32/h3-12,14-15,32H,1-2,13H2,(H,29,31)
InChIKeyJKDJYDDZUBIWBZ-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.17
Rot. Bonds7

About N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide

N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide (PubChem CID 169024528) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide
PubChem CID169024528
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC NameN-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2ncn(-c3ccc(OCCCc4ccc(C(F)(F)F)cc4)cc3)c2c1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-6-3-16(4-7-18)2-1-13-33-20-10-8-19(9-11-20)30-15-28-21-12-5-17(14-22(21)30)23(31)29-32/h3-12,14-15,32H,1-2,13H2,(H,29,31)
InChIKeyJKDJYDDZUBIWBZ-UHFFFAOYSA-N
XLogP5.17
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
CID 169024525
N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
CID 169024522
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
CID 162621629
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-[[4-[5-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzoyl]amino]propanoic acid
CID 67485213
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
3-[[4-[3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propoxy]benzoyl]amino]propanoic acid
CID 67484209

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide (CID 169024528) is N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide is O=C(NO)c1ccc2ncn(-c3ccc(OCCCc4ccc(C(F)(F)F)cc4)cc3)c2c1.
What is the InChIKey of N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide?
The InChIKey is JKDJYDDZUBIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c25-24(26,27)18-6-3-16(4-7-18)2-1-13-33-20-10-8-19(9-11-20)30-15-28-21-12-5-17(14-22(21)30)23(31)29-32/h3-12,14-15,32H,1-2,13H2,(H,29,31).
What are the key properties of N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide?
N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 169024528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).