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

C16H13N5O4S — CID 134459637

IUPAC3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
SMILESCS(=O)(=O)c1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C#N
InChIInChI=1S/C16H13N5O4S/c1-26(24,25)14-7-13-12(6-10(14)8-17)19-16(20-13)18-11-4-2-3-9(5-11)15(22)21-23/h2-7,23H,1H3,(H,21,22)(H2,18,19,20)
InChIKeyNGSVIWIURHHGAM-UHFFFAOYSA-N
MW371.38 g/mol
LogP1.70
Rot. Bonds4

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

3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide (PubChem CID 134459637) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
PubChem CID134459637
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC Name3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
SMILESCS(=O)(=O)c1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C#N
InChIInChI=1S/C16H13N5O4S/c1-26(24,25)14-7-13-12(6-10(14)8-17)19-16(20-13)18-11-4-2-3-9(5-11)15(22)21-23/h2-7,23H,1H3,(H,21,22)(H2,18,19,20)
InChIKeyNGSVIWIURHHGAM-UHFFFAOYSA-N
XLogP1.70
TPSA147.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
CID 82562597
3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile
CID 82563444
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 175734132
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide?
The IUPAC name of 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide (CID 134459637) is 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide is CS(=O)(=O)c1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C#N.
What is the InChIKey of 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide?
The InChIKey is NGSVIWIURHHGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4S/c1-26(24,25)14-7-13-12(6-10(14)8-17)19-16(20-13)18-11-4-2-3-9(5-11)15(22)21-23/h2-7,23H,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide?
3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide has a molecular weight of 371.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 134459637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).