2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid

C24H20N2O2S — CID 3472388

IUPAC2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc(-n2c(SCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-12-14-20(15-13-17)26-23(19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)25-24(26)29-16-21(27)28/h2-15H,16H2,1H3,(H,27,28)
InChIKeyOTJOTZAVJDADGQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.69
Rot. Bonds6

About 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid

2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid (PubChem CID 3472388) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
PubChem CID3472388
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc(-n2c(SCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-12-14-20(15-13-17)26-23(19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)25-24(26)29-16-21(27)28/h2-15H,16H2,1H3,(H,27,28)
InChIKeyOTJOTZAVJDADGQ-UHFFFAOYSA-N
XLogP5.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[2-(4-methylphenoxy)ethylsulfanyl]-1,4,5-triphenylimidazole
CID 5228080
N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 55392612
N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507
2-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 856461
diethyl 2-(1,4,5-triphenylimidazol-2-yl)sulfanylpropanedioate
CID 134066845
2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid
CID 139614640
2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
CID 3378636
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
4-tert-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide
CID 42657918
2-[[5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 1136420
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid (CID 3472388) is 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid is Cc1ccc(-n2c(SCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid?
The InChIKey is OTJOTZAVJDADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-12-14-20(15-13-17)26-23(19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)25-24(26)29-16-21(27)28/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid?
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid has a molecular weight of 400.50 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 3472388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).