2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid

C20H17N3O2S — CID 71579827

IUPAC2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCn1c(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)nc2ccccc21
InChIInChI=1S/C20H17N3O2S/c1-23-15-10-6-5-9-14(15)21-17(23)12-18-22-20(13-7-3-2-4-8-13)16(26-18)11-19(24)25/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeySVGVQUXKUFFTGZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.91
Rot. Bonds5

About 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 71579827) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID71579827
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCn1c(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)nc2ccccc21
InChIInChI=1S/C20H17N3O2S/c1-23-15-10-6-5-9-14(15)21-17(23)12-18-22-20(13-7-3-2-4-8-13)16(26-18)11-19(24)25/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeySVGVQUXKUFFTGZ-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tilomisole
CID 42747
2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51032680
US10179123, Example 2-41
CID 124188370
2-[1-[4-(Trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
CID 13089427
2-[1-(4-Fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
CID 13089428
2-[6-Fluoro-2-methyl-3-[4-(1-methylimidazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid
CID 24991866
3-[2,7-Dimethyl-3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]benzimidazol-5-yl]benzoic acid
CID 69803452
2-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]benzimidazol-5-yl]acetic acid
CID 143069226
(1,2-Dimethylbenzimidazol-5-yl)methyl 2-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
CID 158342969
(2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-5-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-oxopentanoic acid
CID 162071839
3-[2-(1,3-Thiazol-4-yl)-1h-benzimidazol-1-yl]hexanoic acid
CID 134694475
3-[3-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]benzimidazol-5-yl]propanoic acid
CID 11503208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 71579827) is 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cn1c(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)nc2ccccc21.
What is the InChIKey of 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SVGVQUXKUFFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23-15-10-6-5-9-14(15)21-17(23)12-18-22-20(13-7-3-2-4-8-13)16(26-18)11-19(24)25/h2-10H,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 71579827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).