3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol

C25H21N3OS — CID 143316305

IUPAC3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol
SMILESOc1ccc(CCc2ccccc2)c(Cc2nc(-c3nc4ccccc4[nH]3)cs2)c1
InChIInChI=1S/C25H21N3OS/c29-20-13-12-18(11-10-17-6-2-1-3-7-17)19(14-20)15-24-26-23(16-30-24)25-27-21-8-4-5-9-22(21)28-25/h1-9,12-14,16,29H,10-11,15H2,(H,27,28)
InChIKeyAAKREZSSAHFPRW-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.77
Rot. Bonds6

About 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol

3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol (PubChem CID 143316305) has the molecular formula C25H21N3OS and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol.

Molecular Properties

Compound Name3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol
PubChem CID143316305
Molecular FormulaC25H21N3OS
Molecular Weight411.53 g/mol
Exact Mass411.14
IUPAC Name3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol
SMILESOc1ccc(CCc2ccccc2)c(Cc2nc(-c3nc4ccccc4[nH]3)cs2)c1
InChIInChI=1S/C25H21N3OS/c29-20-13-12-18(11-10-17-6-2-1-3-7-17)19(14-20)15-24-26-23(16-30-24)25-27-21-8-4-5-9-22(21)28-25/h1-9,12-14,16,29H,10-11,15H2,(H,27,28)
InChIKeyAAKREZSSAHFPRW-UHFFFAOYSA-N
XLogP5.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol with MolForge

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-thiazole;hydrochloride
CID 69320765
N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 157020411
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380670
2-[2-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazol-4-yl]-3H-benzimidazol-5-yl]ethanol
CID 59786404
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol?
The IUPAC name of 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol (CID 143316305) is 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol.
What is the SMILES notation for 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol?
The canonical SMILES for 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol is Oc1ccc(CCc2ccccc2)c(Cc2nc(-c3nc4ccccc4[nH]3)cs2)c1.
What is the InChIKey of 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol?
The InChIKey is AAKREZSSAHFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3OS/c29-20-13-12-18(11-10-17-6-2-1-3-7-17)19(14-20)15-24-26-23(16-30-24)25-27-21-8-4-5-9-22(21)28-25/h1-9,12-14,16,29H,10-11,15H2,(H,27,28).
What are the key properties of 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol?
3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol has a molecular weight of 411.53 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol is sourced from PubChem (CID 143316305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).