3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one

C19H17N3OS — CID 102288238

IUPAC3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17N3OS/c23-18-13-24-19(16-4-2-1-3-5-16)22(18)17-8-6-15(7-9-17)12-21-11-10-20-14-21/h1-11,14,19H,12-13H2
InChIKeyQBMGEAYIUJDJMP-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.71
Rot. Bonds4

About 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one

3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 102288238) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID102288238
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17N3OS/c23-18-13-24-19(16-4-2-1-3-5-16)22(18)17-8-6-15(7-9-17)12-21-11-10-20-14-21/h1-11,14,19H,12-13H2
InChIKeyQBMGEAYIUJDJMP-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 95402321
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
1-[4-(imidazol-1-ylmethyl)phenyl]azetidine-3-carboxylic acid
CID 166452538
3-phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347

Frequently Asked Questions

What is the IUPAC name of 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one (CID 102288238) is 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is QBMGEAYIUJDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-18-13-24-19(16-4-2-1-3-5-16)22(18)17-8-6-15(7-9-17)12-21-11-10-20-14-21/h1-11,14,19H,12-13H2.
What are the key properties of 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 335.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 102288238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).