1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

C18H21N3O3S2 — CID 7599106

IUPAC1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
SMILESCCn1c(SCc2cc(C)ccc2OC)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H21N3O3S2/c1-4-21-16-7-6-14(26(19,22)23)10-15(16)20-18(21)25-11-13-9-12(2)5-8-17(13)24-3/h5-10H,4,11H2,1-3H3,(H2,19,22,23)
InChIKeyGKJURJCCUVKCAH-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.31
Rot. Bonds6

About 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide (PubChem CID 7599106) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
PubChem CID7599106
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC Name1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
SMILESCCn1c(SCc2cc(C)ccc2OC)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H21N3O3S2/c1-4-21-16-7-6-14(26(19,22)23)10-15(16)20-18(21)25-11-13-9-12(2)5-8-17(13)24-3/h5-10H,4,11H2,1-3H3,(H2,19,22,23)
InChIKeyGKJURJCCUVKCAH-UHFFFAOYSA-N
XLogP3.31
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798737
1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
CID 7481486
1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 112812810
methyl 5-[(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 7488115
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide
CID 7481485
butyl 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate
CID 7488126
1-ethyl-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 30206453
(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 51396031
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 46624032
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 25406660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide (CID 7599106) is 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide is CCn1c(SCc2cc(C)ccc2OC)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide?
The InChIKey is GKJURJCCUVKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-4-21-16-7-6-14(26(19,22)23)10-15(16)20-18(21)25-11-13-9-12(2)5-8-17(13)24-3/h5-10H,4,11H2,1-3H3,(H2,19,22,23).
What are the key properties of 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide?
1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide has a molecular weight of 391.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 7599106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).