2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole

C23H21ClN2OS — CID 18878269

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccccc1OCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H21ClN2OS/c1-17-6-2-5-9-22(17)27-15-14-26-21-8-4-3-7-20(21)25-23(26)16-28-19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3
InChIKeyQEUIXFXYDVTWLA-UHFFFAOYSA-N
MW408.95 g/mol
LogP6.37
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole

2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (PubChem CID 18878269) has the molecular formula C23H21ClN2OS and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
PubChem CID18878269
Molecular FormulaC23H21ClN2OS
Molecular Weight408.95 g/mol
Exact Mass408.11
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccccc1OCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H21ClN2OS/c1-17-6-2-5-9-22(17)27-15-14-26-21-8-4-3-7-20(21)25-23(26)16-28-19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3
InChIKeyQEUIXFXYDVTWLA-UHFFFAOYSA-N
XLogP6.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.95
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18878293
2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 3822868
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978810
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (CID 18878269) is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is Cc1ccccc1OCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The InChIKey is QEUIXFXYDVTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2OS/c1-17-6-2-5-9-22(17)27-15-14-26-21-8-4-3-7-20(21)25-23(26)16-28-19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole has a molecular weight of 408.95 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 18878269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).