(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

C19H16Cl2N2O4S — CID 78903965

IUPAC(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate
SMILESCS(=O)(=O)Cc1ccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)cc1
InChIInChI=1S/C19H16Cl2N2O4S/c1-28(25,26)12-13-7-9-14(10-8-13)18(24)27-11-16-17(20)22-19(21)23(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyACZRCBAHDYTDPR-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.08
Rot. Bonds6

About (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate (PubChem CID 78903965) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate.

Molecular Properties

Compound Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate
PubChem CID78903965
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate
SMILESCS(=O)(=O)Cc1ccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)cc1
InChIInChI=1S/C19H16Cl2N2O4S/c1-28(25,26)12-13-7-9-14(10-8-13)18(24)27-11-16-17(20)22-19(21)23(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyACZRCBAHDYTDPR-UHFFFAOYSA-N
XLogP4.08
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
CID 155948350
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
(2-chlorophenyl) 4-(methylsulfonylmethyl)benzoate
CID 26096675
2-phenylethyl 4-(methylsulfonylmethyl)benzoate
CID 78776770
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753125
(2-nitrophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 41238319
(3-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 42404752
(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
[2-(2-chloroanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753167
butyl 4-(methylsulfonylmethyl)benzoate
CID 112723686
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(hydroxymethyl)benzoate
CID 46607202

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate?
The IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate (CID 78903965) is (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate.
What is the SMILES notation for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate?
The canonical SMILES for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate is CS(=O)(=O)Cc1ccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)cc1.
What is the InChIKey of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate?
The InChIKey is ACZRCBAHDYTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c1-28(25,26)12-13-7-9-14(10-8-13)18(24)27-11-16-17(20)22-19(21)23(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate?
(2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate has a molecular weight of 439.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate is sourced from PubChem (CID 78903965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).