3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

C21H18N4O3S — CID 18680806

IUPAC3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccn3)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N4O3S/c1-15-24-19-11-10-16(21(26)23-14-17-7-5-6-12-22-17)13-20(19)25(15)29(27,28)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,23,26)
InChIKeyVTPCVWMLBCZWDA-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.91
Rot. Bonds5

About 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 18680806) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID18680806
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccn3)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N4O3S/c1-15-24-19-11-10-16(21(26)23-14-17-7-5-6-12-22-17)13-20(19)25(15)29(27,28)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,23,26)
InChIKeyVTPCVWMLBCZWDA-UHFFFAOYSA-N
XLogP2.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 152760188
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 6617180
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (CID 18680806) is 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCc3ccccn3)cc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is VTPCVWMLBCZWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-15-24-19-11-10-16(21(26)23-14-17-7-5-6-12-22-17)13-20(19)25(15)29(27,28)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 18680806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).