1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C16H16N2O2S — CID 34885089

IUPAC1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeySMBZUEGQNDNVDM-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 34885089) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID34885089
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeySMBZUEGQNDNVDM-UHFFFAOYSA-N
XLogP2.45
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 15943711
1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 35203154
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
CID 2148605
1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 91669838
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 15942901
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
2-methyl-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 16761146
2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 34885089) is 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is SMBZUEGQNDNVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 300.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 34885089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).