ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate

C26H26N2O4S — CID 102584933

IUPACethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)N=C(c2ccccc2C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H26N2O4S/c1-4-32-25(29)26(21-11-6-5-7-12-21)27-24(23-13-9-8-10-20(23)3)18-28(26)33(30,31)22-16-14-19(2)15-17-22/h5-17H,4,18H2,1-3H3
InChIKeyWWIDCVSPRDICNP-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.21
Rot. Bonds6

About ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate

ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate (PubChem CID 102584933) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate
PubChem CID102584933
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Nameethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)N=C(c2ccccc2C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H26N2O4S/c1-4-32-25(29)26(21-11-6-5-7-12-21)27-24(23-13-9-8-10-20(23)3)18-28(26)33(30,31)22-16-14-19(2)15-17-22/h5-17H,4,18H2,1-3H3
InChIKeyWWIDCVSPRDICNP-UHFFFAOYSA-N
XLogP4.21
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135068721
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CID 15429885
ethyl (2R)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
CID 102450742
ethyl 4-acetyl-5-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate
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trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 4-fluoro-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carboxylate
CID 118432206
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
diethyl 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 101468739
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate (CID 102584933) is ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate is CCOC(=O)C1(c2ccccc2)N=C(c2ccccc2C)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate?
The InChIKey is WWIDCVSPRDICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-4-32-25(29)26(21-11-6-5-7-12-21)27-24(23-13-9-8-10-20(23)3)18-28(26)33(30,31)22-16-14-19(2)15-17-22/h5-17H,4,18H2,1-3H3.
What are the key properties of ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate?
ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate has a molecular weight of 462.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-4H-imidazole-2-carboxylate is sourced from PubChem (CID 102584933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).