3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide

C15H10BrF3N4O2 — CID 134459673

IUPAC3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C15H10BrF3N4O2/c16-10-6-12-11(5-9(10)15(17,18)19)21-14(22-12)20-8-3-1-2-7(4-8)13(24)23-25/h1-6,25H,(H,23,24)(H2,20,21,22)
InChIKeyMRSVFRJEBGXVOU-UHFFFAOYSA-N
MW415.17 g/mol
LogP4.21
Rot. Bonds3

About 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide

3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 134459673) has the molecular formula C15H10BrF3N4O2 and a molecular weight of 415.17 g/mol. Its IUPAC name is 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
PubChem CID134459673
Molecular FormulaC15H10BrF3N4O2
Molecular Weight415.17 g/mol
Exact Mass413.99
IUPAC Name3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C15H10BrF3N4O2/c16-10-6-12-11(5-9(10)15(17,18)19)21-14(22-12)20-8-3-1-2-7(4-8)13(24)23-25/h1-6,25H,(H,23,24)(H2,20,21,22)
InChIKeyMRSVFRJEBGXVOU-UHFFFAOYSA-N
XLogP4.21
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 54.21
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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Related Compounds

3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 175734132
[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 88730884
3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
CID 134459637
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (CID 134459673) is 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is O=C(NO)c1cccc(Nc2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is MRSVFRJEBGXVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N4O2/c16-10-6-12-11(5-9(10)15(17,18)19)21-14(22-12)20-8-3-1-2-7(4-8)13(24)23-25/h1-6,25H,(H,23,24)(H2,20,21,22).
What are the key properties of 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 415.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 134459673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).