2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole

C14H10ClIN2O2S — CID 103222497

IUPAC2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12
InChIInChI=1S/C14H10ClIN2O2S/c1-21(19,20)12-4-2-3-11-13(12)18-14(17-11)8-5-6-10(16)9(15)7-8/h2-7H,1H3,(H,17,18)
InChIKeyBVAHZFYNMMDUJZ-UHFFFAOYSA-N
MW432.67 g/mol
LogP3.89
Rot. Bonds2

About 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole

2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole (PubChem CID 103222497) has the molecular formula C14H10ClIN2O2S and a molecular weight of 432.67 g/mol. Its IUPAC name is 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
PubChem CID103222497
Molecular FormulaC14H10ClIN2O2S
Molecular Weight432.67 g/mol
Exact Mass431.92
IUPAC Name2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12
InChIInChI=1S/C14H10ClIN2O2S/c1-21(19,20)12-4-2-3-11-13(12)18-14(17-11)8-5-6-10(16)9(15)7-8/h2-7H,1H3,(H,17,18)
InChIKeyBVAHZFYNMMDUJZ-UHFFFAOYSA-N
XLogP3.89
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-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-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
4-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 82000837
3-chloro-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 82000564
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811548
2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82007857
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82007764
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole (CID 103222497) is 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12.
What is the InChIKey of 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole?
The InChIKey is BVAHZFYNMMDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O2S/c1-21(19,20)12-4-2-3-11-13(12)18-14(17-11)8-5-6-10(16)9(15)7-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole?
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole has a molecular weight of 432.67 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 103222497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).