7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide

C18H19N3O4S — CID 67220315

IUPAC7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3c(O)cc(C(=O)N(C)C)cc32)cc1
InChIInChI=1S/C18H19N3O4S/c1-11-5-7-14(8-6-11)26(24,25)21-12(2)19-17-15(21)9-13(10-16(17)22)18(23)20(3)4/h5-10,22H,1-4H3
InChIKeyAGWVNJPTTKMUQO-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.30
Rot. Bonds3

About 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide

7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide (PubChem CID 67220315) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
PubChem CID67220315
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3c(O)cc(C(=O)N(C)C)cc32)cc1
InChIInChI=1S/C18H19N3O4S/c1-11-5-7-14(8-6-11)26(24,25)21-12(2)19-17-15(21)9-13(10-16(17)22)18(23)20(3)4/h5-10,22H,1-4H3
InChIKeyAGWVNJPTTKMUQO-UHFFFAOYSA-N
XLogP2.30
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid
CID 86613186
6-[3-(4-fluorophenyl)-3-oxopropyl]-7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 67220440
2,6,7-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 141175865
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 174939258
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
[5-bromo-6-hydroxy-1-(4-methylphenyl)sulfonylindol-2-yl]methylcarbamic acid
CID 174242758
3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 11553523

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide?
The IUPAC name of 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide (CID 67220315) is 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide is Cc1ccc(S(=O)(=O)n2c(C)nc3c(O)cc(C(=O)N(C)C)cc32)cc1.
What is the InChIKey of 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide?
The InChIKey is AGWVNJPTTKMUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-5-7-14(8-6-11)26(24,25)21-12(2)19-17-15(21)9-13(10-16(17)22)18(23)20(3)4/h5-10,22H,1-4H3.
What are the key properties of 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide?
7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide is sourced from PubChem (CID 67220315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).