4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide

C18H15N3O3S2 — CID 142707215

IUPAC4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2c(-c3cccs3)nc3cccc(O)c32)cc1
InChIInChI=1S/C18H15N3O3S2/c19-26(23,24)13-8-6-12(7-9-13)11-21-17-14(3-1-4-15(17)22)20-18(21)16-5-2-10-25-16/h1-10,22H,11H2,(H2,19,23,24)
InChIKeyLAQHHUMXAIEONM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.17
Rot. Bonds4

About 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide

4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide (PubChem CID 142707215) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide
PubChem CID142707215
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Name4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2c(-c3cccs3)nc3cccc(O)c32)cc1
InChIInChI=1S/C18H15N3O3S2/c19-26(23,24)13-8-6-12(7-9-13)11-21-17-14(3-1-4-15(17)22)20-18(21)16-5-2-10-25-16/h1-10,22H,11H2,(H2,19,23,24)
InChIKeyLAQHHUMXAIEONM-UHFFFAOYSA-N
XLogP3.17
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 67359604
4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
CID 110583051
3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol
CID 67360204
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide
CID 67361903
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 56538461
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
4-[[4-(hydroxymethyl)phenyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 110005307
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 58985681
4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
CID 25025229

Frequently Asked Questions

What is the IUPAC name of 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide (CID 142707215) is 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(Cn2c(-c3cccs3)nc3cccc(O)c32)cc1.
What is the InChIKey of 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The InChIKey is LAQHHUMXAIEONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c19-26(23,24)13-8-6-12(7-9-13)11-21-17-14(3-1-4-15(17)22)20-18(21)16-5-2-10-25-16/h1-10,22H,11H2,(H2,19,23,24).
What are the key properties of 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide?
4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 142707215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).