1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide

C20H19N3O2S2 — CID 7481486

IUPAC1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
SMILESCCn1c(SCc2cccc3ccccc23)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H19N3O2S2/c1-2-23-19-11-10-16(27(21,24)25)12-18(19)22-20(23)26-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3,(H2,21,24,25)
InChIKeyUCMJVRHWAOWFGG-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.15
Rot. Bonds5

About 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide

1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide (PubChem CID 7481486) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
PubChem CID7481486
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
SMILESCCn1c(SCc2cccc3ccccc23)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H19N3O2S2/c1-2-23-19-11-10-16(27(21,24)25)12-18(19)22-20(23)26-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3,(H2,21,24,25)
InChIKeyUCMJVRHWAOWFGG-UHFFFAOYSA-N
XLogP4.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7599106
1-butyl-2-[(2-cyanophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7506824
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
1-ethyl-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 30206453
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
butyl 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate
CID 7488126
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide
CID 7481485
methyl 5-[(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 7488115
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-[(4-fluorophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798918
4-[2-[(2,3-difluorophenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 24523596
2-[(1-benzylpyrazol-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 71907301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide (CID 7481486) is 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide is CCn1c(SCc2cccc3ccccc23)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide?
The InChIKey is UCMJVRHWAOWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-2-23-19-11-10-16(27(21,24)25)12-18(19)22-20(23)26-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3,(H2,21,24,25).
What are the key properties of 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide?
1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide has a molecular weight of 397.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 7481486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).