1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole

C17H24N2O2S — CID 95135192

IUPAC1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O
InChIInChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVDUUJIAZPXNVGA-CQSZACIVSA-N
MW320.46 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole

1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole (PubChem CID 95135192) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
PubChem CID95135192
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O
InChIInChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVDUUJIAZPXNVGA-CQSZACIVSA-N
XLogP3.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl 4-fluorobenzyl sulfone
CID 1476582
4-[5-(4-Fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10087844
1-{2-Methyl-6-[2-(5-methyl-4-phenyl-imidazol-1-yl)-ethanesulfonylmethyl]-phenyl}-3-pentyl-urea
CID 10345178
4-[5-(4-Fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
CID 10689819
5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-methyl-1H-imidazole
CID 10914501
1-Methyl-4,5-diphenyl-1H-imidazole
CID 12974798
5-(4-Methylsulfonylphenyl)-2-methylthio-1-phenylimidazole
CID 44428617
2-Ethylthio-5-(4-methylsulfonylphenyl)-1-phenylimidazole
CID 44428623
5-(benzylsulfonyl)-1-(cyclopropylmethyl)-2-neopentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45270326
5-(benzylsulfonyl)-2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45272871
2-Benzyl-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862548
2-Benzylsulfonyl-1-methyl-4,5-diphenylimidazole
CID 72164038

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole (CID 95135192) is 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole is CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The InChIKey is VDUUJIAZPXNVGA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole has a molecular weight of 320.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole is sourced from PubChem (CID 95135192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).