2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole

C17H16Cl2N2O3S — CID 5297449

IUPAC2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCOc1c(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-24-17-14(8-7-13(18)16(17)19)25(22,23)21-10-9-20-15(21)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyAICLMPOXVNMTRL-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.65
Rot. Bonds5

About 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole

2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 5297449) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID5297449
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCOc1c(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-24-17-14(8-7-13(18)16(17)19)25(22,23)21-10-9-20-15(21)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyAICLMPOXVNMTRL-UHFFFAOYSA-N
XLogP3.65
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole (CID 5297449) is 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole is COc1c(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc(Cl)c1Cl.
What is the InChIKey of 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is AICLMPOXVNMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-24-17-14(8-7-13(18)16(17)19)25(22,23)21-10-9-20-15(21)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3.
What are the key properties of 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole?
2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 399.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 5297449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).