1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

C16H20N4O2S3 — CID 7494246

IUPAC1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(CSc2nc(C)cs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H20N4O2S3/c1-3-4-7-20-14-6-5-12(25(17,21)22)8-13(14)19-15(20)10-24-16-18-11(2)9-23-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21,22)
InChIKeyASBXTFLBKXFALK-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.54
Rot. Bonds7

About 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide (PubChem CID 7494246) has the molecular formula C16H20N4O2S3 and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide
PubChem CID7494246
Molecular FormulaC16H20N4O2S3
Molecular Weight396.56 g/mol
Exact Mass396.07
IUPAC Name1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(CSc2nc(C)cs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H20N4O2S3/c1-3-4-7-20-14-6-5-12(25(17,21)22)8-13(14)19-15(20)10-24-16-18-11(2)9-23-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21,22)
InChIKeyASBXTFLBKXFALK-UHFFFAOYSA-N
XLogP3.54
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]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

2-[2-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683565
1-butyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-sulfonamide
CID 7494203
2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide
CID 24584849
2-[(2-bromophenoxy)methyl]-1-butylbenzimidazole-5-sulfonamide
CID 38895198
1-butyl-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]methyl]benzimidazole-5-sulfonamide
CID 40660240
1-butyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzimidazole-5-sulfonamide
CID 38846414
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 25044033
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 40709893
1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
CID 4780765
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 25042013
1-butyl-2-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 39777111
1-butyl-2-[(2-cyanophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7506824

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide (CID 7494246) is 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide is CCCCn1c(CSc2nc(C)cs2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide?
The InChIKey is ASBXTFLBKXFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S3/c1-3-4-7-20-14-6-5-12(25(17,21)22)8-13(14)19-15(20)10-24-16-18-11(2)9-23-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21,22).
What are the key properties of 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide?
1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide has a molecular weight of 396.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 7494246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).