N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide

C16H15N3O4S — CID 122690142

IUPACN-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
SMILESCn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C16H15N3O4S/c1-19-14-8-5-11(16(20)18-21)9-13(14)17-15(19)10-3-6-12(7-4-10)24(2,22)23/h3-9,21H,1-2H3,(H,18,20)
InChIKeySXKSOVPJKRJAFZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.76
Rot. Bonds3

About N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide

N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide (PubChem CID 122690142) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
PubChem CID122690142
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
SMILESCn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C16H15N3O4S/c1-19-14-8-5-11(16(20)18-21)9-13(14)17-15(19)10-3-6-12(7-4-10)24(2,22)23/h3-9,21H,1-2H3,(H,18,20)
InChIKeySXKSOVPJKRJAFZ-UHFFFAOYSA-N
XLogP1.76
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
CID 58408621
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
methyl 3-[[2-[4-(aminomethyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate;dihydrochloride
CID 19921539
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
3-[[2-[4-(1-aminocyclopropyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid
CID 19921131
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide (CID 122690142) is N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide is Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cc(C(=O)NO)ccc21.
What is the InChIKey of N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide?
The InChIKey is SXKSOVPJKRJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19-14-8-5-11(16(20)18-21)9-13(14)17-15(19)10-3-6-12(7-4-10)24(2,22)23/h3-9,21H,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide?
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 122690142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).