2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone

C22H16ClFN2O2S — CID 34317789

IUPAC2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)n1c(SCc2ccccc2F)nc2ccccc21
InChIInChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-13-21(27)26-20-8-4-3-7-19(20)25-22(26)29-14-15-5-1-2-6-18(15)24/h1-12H,13-14H2
InChIKeyOWKHKRBKUUYBSA-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.84
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone

2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone (PubChem CID 34317789) has the molecular formula C22H16ClFN2O2S and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone
PubChem CID34317789
Molecular FormulaC22H16ClFN2O2S
Molecular Weight426.90 g/mol
Exact Mass426.06
IUPAC Name2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)n1c(SCc2ccccc2F)nc2ccccc21
InChIInChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-13-21(27)26-20-8-4-3-7-19(20)25-22(26)29-14-15-5-1-2-6-18(15)24/h1-12H,13-14H2
InChIKeyOWKHKRBKUUYBSA-UHFFFAOYSA-N
XLogP5.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
1-[2-[(4-methylphenyl)methylsulfanyl]benzimidazol-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 46741015
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000527
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
3-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2856865
1-[2-[(4-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3717605
2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
3-[3-(2-benzylsulfanylbenzimidazol-1-yl)-3-oxopropyl]-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3752103
methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetate
CID 56697290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone (CID 34317789) is 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)n1c(SCc2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone?
The InChIKey is OWKHKRBKUUYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-13-21(27)26-20-8-4-3-7-19(20)25-22(26)29-14-15-5-1-2-6-18(15)24/h1-12H,13-14H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone has a molecular weight of 426.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 34317789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).