potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride

C22H19KN4O5S — CID 173201492

IUPACpotassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccc([N+](=O)[O-])cc1.[H-].[K+]
InChIInChI=1S/C22H18N4O5S.K.H/c1-15-23-20-12-9-17(22(27)24-32(30,31)19-5-3-2-4-6-19)13-21(20)25(15)14-16-7-10-18(11-8-16)26(28)29;;/h2-13H,14H2,1H3,(H,24,27);;/q;+1;-1
InChIKeyBPNSTINBUSWKES-UHFFFAOYSA-N
MW490.58 g/mol
LogP0.54
Rot. Bonds6

About potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride

potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride (PubChem CID 173201492) has the molecular formula C22H19KN4O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride.

Molecular Properties

Compound Namepotassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
PubChem CID173201492
Molecular FormulaC22H19KN4O5S
Molecular Weight490.58 g/mol
Exact Mass490.07
IUPAC Namepotassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
SMILESCc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccc([N+](=O)[O-])cc1.[H-].[K+]
InChIInChI=1S/C22H18N4O5S.K.H/c1-15-23-20-12-9-17(22(27)24-32(30,31)19-5-3-2-4-6-19)13-21(20)25(15)14-16-7-10-18(11-8-16)26(28)29;;/h2-13H,14H2,1H3,(H,24,27);;/q;+1;-1
InChIKeyBPNSTINBUSWKES-UHFFFAOYSA-N
XLogP0.54
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741
sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
3-[[2-chloro-4-(2-phenylethenyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 54153744
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
CID 18681167
3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 18467579
3-[(2,4-dichlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467551
3-[(4-bromo-2-chlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467524
3-[(2-chloro-4-propoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 22508787
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123

Frequently Asked Questions

What is the IUPAC name of potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride?
The IUPAC name of potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride (CID 173201492) is potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride.
What is the SMILES notation for potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride?
The canonical SMILES for potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride is Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccc([N+](=O)[O-])cc1.[H-].[K+].
What is the InChIKey of potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride?
The InChIKey is BPNSTINBUSWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S.K.H/c1-15-23-20-12-9-17(22(27)24-32(30,31)19-5-3-2-4-6-19)13-21(20)25(15)14-16-7-10-18(11-8-16)26(28)29;;/h2-13H,14H2,1H3,(H,24,27);;/q;+1;-1.
What are the key properties of potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride?
potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride has a molecular weight of 490.58 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride is sourced from PubChem (CID 173201492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).