7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole

C13H16Cl2N2O2S — CID 64643619

IUPAC7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
SMILESCC(CS(C)(=O)=O)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C13H16Cl2N2O2S/c1-9(8-20(2,18)19)17-12(6-7-14)16-11-5-3-4-10(15)13(11)17/h3-5,9H,6-8H2,1-2H3
InChIKeyNDAFMRLGMKDVBF-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.08
Rot. Bonds5

About 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole (PubChem CID 64643619) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
PubChem CID64643619
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
SMILESCC(CS(C)(=O)=O)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C13H16Cl2N2O2S/c1-9(8-20(2,18)19)17-12(6-7-14)16-11-5-3-4-10(15)13(11)17/h3-5,9H,6-8H2,1-2H3
InChIKeyNDAFMRLGMKDVBF-UHFFFAOYSA-N
XLogP3.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)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

2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 43667658
2-(2-chloroethyl)-5-methyl-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81135494
7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667598
7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 63547181
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
7-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62117573
2-(2-chloroethyl)-1-(1-methoxypropan-2-yl)-7-methylbenzimidazole
CID 115552669
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211
7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole
CID 115553640
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole (CID 64643619) is 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole is CC(CS(C)(=O)=O)n1c(CCCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole?
The InChIKey is NDAFMRLGMKDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c1-9(8-20(2,18)19)17-12(6-7-14)16-11-5-3-4-10(15)13(11)17/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole has a molecular weight of 335.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole is sourced from PubChem (CID 64643619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).