1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole

C16H20N4O2S — CID 75439550

IUPAC1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole
SMILESCc1nccn1CCCn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-13-17-8-11-19(13)9-5-10-20-15-7-4-3-6-14(15)18-16(20)12-23(2,21)22/h3-4,6-8,11H,5,9-10,12H2,1-2H3
InChIKeyOCVHWSNXMXLDRH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole

1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole (PubChem CID 75439550) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole
PubChem CID75439550
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole
SMILESCc1nccn1CCCn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-13-17-8-11-19(13)9-5-10-20-15-7-4-3-6-14(15)18-16(20)12-23(2,21)22/h3-4,6-8,11H,5,9-10,12H2,1-2H3
InChIKeyOCVHWSNXMXLDRH-UHFFFAOYSA-N
XLogP2.18
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole 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-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 75397016
1-(3-ethylsulfanylpropyl)-2-(methylsulfonylmethyl)benzimidazole
CID 84584744
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
CID 42942526
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122360
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole (CID 75439550) is 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole is Cc1nccn1CCCn1c(CS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole?
The InChIKey is OCVHWSNXMXLDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-13-17-8-11-19(13)9-5-10-20-15-7-4-3-6-14(15)18-16(20)12-23(2,21)22/h3-4,6-8,11H,5,9-10,12H2,1-2H3.
What are the key properties of 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole?
1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole has a molecular weight of 332.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole is sourced from PubChem (CID 75439550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).