3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole

C19H19IN4O2S — CID 10278292

IUPAC3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
SMILESCS(=O)(=O)CCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21
InChIInChI=1S/C19H19IN4O2S/c1-27(25,26)12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(20)22-24/h2-5,7-10H,6,11-13H2,1H3
InChIKeyUPZYLTWGBGUCBA-UHFFFAOYSA-N
MW494.36 g/mol
LogP3.47
Rot. Bonds6

About 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole

3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole (PubChem CID 10278292) has the molecular formula C19H19IN4O2S and a molecular weight of 494.36 g/mol. Its IUPAC name is 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole.

Molecular Properties

Compound Name3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
PubChem CID10278292
Molecular FormulaC19H19IN4O2S
Molecular Weight494.36 g/mol
Exact Mass494.03
IUPAC Name3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
SMILESCS(=O)(=O)CCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21
InChIInChI=1S/C19H19IN4O2S/c1-27(25,26)12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(20)22-24/h2-5,7-10H,6,11-13H2,1H3
InChIKeyUPZYLTWGBGUCBA-UHFFFAOYSA-N
XLogP3.47
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole 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-[(3-iodoindazol-1-yl)methyl]benzimidazol-1-yl]ethyl-trimethylazanium iodide
CID 169431892
1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272017
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 23517104
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1-(3-ethylsulfanylpropyl)-2-(methylsulfonylmethyl)benzimidazole
CID 84584744
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
3-(2-methylsulfonylbenzimidazol-1-yl)propane-1-sulfonate
CID 162460225
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
2-[1-(3-ethylsulfonylpropyl)benzimidazol-2-yl]ethanethioamide
CID 65096873
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole
CID 75439550

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole?
The IUPAC name of 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole (CID 10278292) is 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole.
What is the SMILES notation for 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole?
The canonical SMILES for 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole is CS(=O)(=O)CCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21.
What is the InChIKey of 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole?
The InChIKey is UPZYLTWGBGUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4O2S/c1-27(25,26)12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(20)22-24/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole?
3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole has a molecular weight of 494.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole is sourced from PubChem (CID 10278292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).