1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole

C19H20N2O2S — CID 86989671

IUPAC1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
SMILESCc1ccccc1CS(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-16-7-5-6-10-18(16)14-24(22,23)15-19-20-11-12-21(19)13-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3
InChIKeyKSOTYECXYMGWFL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.35
Rot. Bonds6

About 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole

1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole (PubChem CID 86989671) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
PubChem CID86989671
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
SMILESCc1ccccc1CS(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-16-7-5-6-10-18(16)14-24(22,23)15-19-20-11-12-21(19)13-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3
InChIKeyKSOTYECXYMGWFL-UHFFFAOYSA-N
XLogP3.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
CID 86989667
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2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
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CID 158634472
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
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(1-benzylimidazol-2-yl)methanamine;dihydrochloride
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3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
3-(1-benzylimidazol-2-yl)propanal
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole?
The IUPAC name of 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole (CID 86989671) is 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole.
What is the SMILES notation for 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole?
The canonical SMILES for 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole is Cc1ccccc1CS(=O)(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole?
The InChIKey is KSOTYECXYMGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-16-7-5-6-10-18(16)14-24(22,23)15-19-20-11-12-21(19)13-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3.
What are the key properties of 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole?
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole has a molecular weight of 340.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole is sourced from PubChem (CID 86989671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).