1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole

C15H13ClN2O2S — CID 16799897

IUPAC1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
SMILESCS(=O)(=O)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c1-21(19,20)15-17-13-7-2-3-8-14(13)18(15)10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChIKeyUZRMYVWVEHQXHA-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.14
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole

1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole (PubChem CID 16799897) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
PubChem CID16799897
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
SMILESCS(=O)(=O)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c1-21(19,20)15-17-13-7-2-3-8-14(13)18(15)10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChIKeyUZRMYVWVEHQXHA-UHFFFAOYSA-N
XLogP3.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565
2-methylsulfonyl-1-[(5-nitrothiophen-3-yl)methyl]benzimidazole
CID 51087772
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 134084372
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole (CID 16799897) is 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole is CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole?
The InChIKey is UZRMYVWVEHQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-21(19,20)15-17-13-7-2-3-8-14(13)18(15)10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole?
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole has a molecular weight of 320.80 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole is sourced from PubChem (CID 16799897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).